General Information of the Compound
| Compound ID |
CP0346676
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| Compound Name |
US9266835, 129
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| Structure |
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| Formula |
C35H31Cl2N3O3
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| Molecular Weight |
612.557
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| Canonical SMILES |
OC(=O)c1cccc(CN2CCC(CC2)Nc2cc(=O)[nH]c3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C35H31Cl2N3O3/c36-27-9-4-23(5-10-27)34(24-6-11-28(37)12-7-24)25-8-13-31-30(19-25)32(20-33(41)39-31)38-29-14-16-40(17-15-29)21-22-2-1-3-26(18-22)35(42)43/h1-13,18-20,29,34H,14-17,21H2,(H,42,43)(H2,38,39,41)
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| InChIKey |
NIRAJCJMOFOLHL-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