General Information of the Compound
| Compound ID |
CP0243906
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| Compound Name |
CHEMBL3037911
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| Formula |
C32H27N5O2
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| Molecular Weight |
513.601
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| Canonical SMILES |
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2)-c2ccccc2)c2c(N)nccn12
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| InChI |
InChI=1S/C32H27N5O2/c1-32(38)18-22(19-32)31-36-28(29-30(33)34-14-15-37(29)31)21-12-13-24-26(16-21)35-25(20-8-4-2-5-9-20)17-27(24)39-23-10-6-3-7-11-23/h2-17,22,38H,18-19H2,1H3,(H2,33,34)/t22-,32+
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| InChIKey |
RIQCSDFOELEOLO-ZFMMCZPJSA-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