Compound	Cisplatin
NPACT-Id	NPACT00427
IUPAC	5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Synonyms	d(Atgg)cispt ;d(A-T-G-G)Cisplatin ;Deoxyadenylyl-thymidyl-deoxyguanylyl-deoxyguanosine-cisplatin complex [MeSH: deoxyadenylyl-thymidyl-deoxyguanylyl-deoxyguanosine-cisplatin complex] ;Cisplatin-deoxyadenylyl-thymidylyl-deoxyguanylyl-deoxyguanosine complex Platinate(1-); diammine(2'-deoxyadenylyl-(3'-5')-thymidylyl-(3'-5')-2'-deoxyguanylyl-(3'-5')-2'-deoxyguanosinate(3-))
PubChem Id	84093
Class	Unknown
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| PMAIP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	UZXRICATRQGMQT-UHFFFAOYSA-N
InChi	1S/C39H48N17O21P3.H3N.2H2N.Pt/c1-15-6-53(39(61)52-35(15)59)24-4-18(21(71-24)8-68-78(62,63)74-17-3-25(70-20(17)7-57)54-12-47-27-30(40)43-10-45-32(27)54)75-79(64,65)69-9-22-19(5-26(72-22)55-13-48-28-31(41)44-11-46-33(28)55)76-80(66,67)77-37-16(58)2-23(73-37
SMILES	[Pt+2].[P@](=O)(O[C@@H]1[C@H](O[C@@H](n2cc(c(=O)[nH]c2=O)C)C1)CO[P@@](=O)(O[C@H]1C[C@@H](O[C@@H]1CO)n1c2ncnc(N)c2nc1)O)(OC[C@H]1O[C@@H](n2c3ncnc(N)c3nc2)C[C@@H]1O[P@@](=O)(O[C@H]1O[C@@H](n2c3[nH]c(nc(=O)c3nc2)N)C[C@@H]1O)O)O.[NH2-].[NH2-].N
SMART	[Pt;v0++].[H][N-][H].[H][N-][H].[H]N([H])[H].[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])[C@]1([H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C(C(=O)N([H])C2=O)C([H])([H])[H])C([H])([H])[C@]1([H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])[C@]1([H])O[P@](=O)(O[H])O[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N([H])C(=NC3=O)N([H])[H])C([H])([H])[C@]1([H])O[H]
CAS No.	91864-32-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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