General Information of the Compound
| Compound ID |
CP0164723
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| Compound Name |
US9266835, 106
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| Structure |
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| Formula |
C30H28Cl2N4O3
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| Molecular Weight |
563.485
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| Canonical SMILES |
NC(=O)CC(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H28Cl2N4O3/c31-21-6-1-18(2-7-21)30(19-3-8-22(32)9-4-19)20-5-10-25-24(15-20)26(16-28(38)35-25)34-23-11-13-36(14-12-23)29(39)17-27(33)37/h1-10,15-16,23,30H,11-14,17H2,(H2,33,37)(H2,34,35,38)
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| InChIKey |
PXZDXGPBYQNYGO-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