General Information of the Compound
| Compound ID |
CP0197639
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| Compound Name |
CHEMBL3823491
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| Formula |
C30H24Cl3NO4
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| Molecular Weight |
568.884
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| Canonical SMILES |
OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C30H24Cl3NO4/c31-24-5-2-6-25(32)27(24)28-23(29(38-34-28)16-7-8-16)15-37-21-9-10-22(26(33)14-21)20-12-19(13-20)17-3-1-4-18(11-17)30(35)36/h1-6,9-11,14,16,19-20H,7-8,12-13,15H2,(H,35,36)/t19-,20+
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| InChIKey |
CEDVQQBJHWLXPI-BGYRXZFFSA-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