General Information of the Compound
| Compound ID |
CP0920060
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| Compound Name |
SID92764827
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| Structure |
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| Formula |
C34H47Cl3N6O2
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| Molecular Weight |
678.149
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| Canonical SMILES |
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1.Cl
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| InChI |
InChI=1S/C34H46Cl2N6O2.ClH/c1-7-41(15-13-35)31-19-25(23-39(3)4)17-29(21-31)37-33(43)27-9-11-28(12-10-27)34(44)38-30-18-26(24-40(5)6)20-32(22-30)42(8-2)16-14-36;/h9-12,17-22H,7-8,13-16,23-24H2,1-6H3,(H,37,43)(H,38,44);1H
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| InChIKey |
ONFXWKXZNKTVMR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3