General Information of the Compound
| Compound ID |
CP0284641
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| Compound Name |
US8957093, 75
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| Structure |
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| Formula |
C38H32N2O3
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| Molecular Weight |
564.685
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| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C38H32N2O3/c1-25-26(2)40(24-27-17-19-28(20-18-27)32-15-9-10-16-33(32)38(42)43)35-22-21-31(23-34(25)35)37(41)39-36(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-23,36H,24H2,1-2H3,(H,39,41)(H,42,43)
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| InChIKey |
DJJBUAMECAYUCC-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