General Information of the Compound
| Compound ID |
CP0562382
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| Compound Name |
CHEMBL201258
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| Formula |
C30H28ClNO4
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| Molecular Weight |
502.01
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OCCC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C30H28ClNO4/c1-19-26(29(33)34)28(23-14-9-15-24(31)18-23)27(20(2)32-19)30(35)36-17-16-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,28,35H,16-17H2,1-2H3,(H,33,34)/b30-27+
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| InChIKey |
OJSOLYAYFTWUPT-KDJFERLWSA-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