General Information of the Compound
| Compound ID |
CP0129452
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| Compound Name |
US9303015, 39
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| Structure |
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| Formula |
C29H22Cl3N3O
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| Molecular Weight |
534.874
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| Canonical SMILES |
CCN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cccnc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C29H22Cl3N3O/c1-2-35(23-11-4-3-5-12-23)27-26(31)24-17-20(13-14-25(24)34-28(27)32)29(36,21-9-7-15-33-18-21)19-8-6-10-22(30)16-19/h3-18,36H,2H2,1H3
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| InChIKey |
MDEOYKJUOUYVQF-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