General Information of the Compound
| Compound ID |
CP0197640
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| Compound Name |
CHEMBL3823688
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| Formula |
C32H28Cl3NO5
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| Molecular Weight |
612.937
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| Canonical SMILES |
CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C32H28Cl3NO5/c1-2-40-32(15-21(16-32)19-5-3-6-20(13-19)31(37)38)24-12-11-22(14-27(24)35)39-17-23-29(36-41-30(23)18-9-10-18)28-25(33)7-4-8-26(28)34/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,37,38)/t21-,32+
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| InChIKey |
SMDWLPRLUOUPSS-VDVQIJNHSA-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