General Information of the Compound
| Compound ID |
CP0191250
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| Compound Name |
CHEMBL3823637
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| Formula |
C31H26Cl3NO5
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| Molecular Weight |
598.91
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| Canonical SMILES |
CO[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/C31H26Cl3NO5/c1-38-31(14-20(15-31)18-4-2-5-19(12-18)30(36)37)23-11-10-21(13-26(23)34)39-16-22-28(35-40-29(22)17-8-9-17)27-24(32)6-3-7-25(27)33/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,36,37)/t20-,31+
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| InChIKey |
SVDIXBKDHATQRG-VYFJIZOZSA-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