General Information of the Compound
| Compound ID |
CP0468004
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| Compound Name |
CHEMBL3822901
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| Formula |
C30H24Cl3NO5
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| Molecular Weight |
584.883
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| Canonical SMILES |
OC(=O)c1cccc(c1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C30H24Cl3NO5/c31-23-5-2-6-24(32)26(23)27-21(28(39-34-27)16-7-8-16)15-38-20-9-10-22(25(33)12-20)30(37)13-19(14-30)17-3-1-4-18(11-17)29(35)36/h1-6,9-12,16,19,37H,7-8,13-15H2,(H,35,36)/t19-,30+
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| InChIKey |
BLUPXUIEWBLQAV-ZOXYEEGJSA-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