General Information of the Compound
| Compound ID |
CP0279468
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| Compound Name |
US9266835, 95
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| Structure |
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| Formula |
C32H31Cl2N3O4
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| Molecular Weight |
592.523
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| Canonical SMILES |
CCOC(=O)CC(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H31Cl2N3O4/c1-2-41-31(40)19-30(39)37-15-13-25(14-16-37)35-28-18-29(38)36-27-12-7-22(17-26(27)28)32(20-3-8-23(33)9-4-20)21-5-10-24(34)11-6-21/h3-12,17-18,25,32H,2,13-16,19H2,1H3,(H2,35,36,38)
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| InChIKey |
CUZNBESAKQBCGR-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