General Information of the Compound
| Compound ID |
CP0223209
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| Compound Name |
CHEMBL3823467
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| Formula |
C32H28Cl3NO6
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| Molecular Weight |
628.936
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| Canonical SMILES |
OCCO[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/C32H28Cl3NO6/c33-25-5-2-6-26(34)28(25)29-23(30(42-36-29)18-7-8-18)17-40-22-9-10-24(27(35)14-22)32(41-12-11-37)15-21(16-32)19-3-1-4-20(13-19)31(38)39/h1-6,9-10,13-14,18,21,37H,7-8,11-12,15-17H2,(H,38,39)/t21-,32+
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| InChIKey |
WMCDAJXORMHUQQ-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