General Information of the Compound
| Compound ID |
CP0032213
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| Compound Name |
CHEMBL4226251
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| Formula |
C23H24Cl2N2O3
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| Molecular Weight |
447.362
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| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H24Cl2N2O3/c1-28-18-4-6-22-19(11-18)16(8-9-26-22)3-7-23-29-13-17(14-30-23)27-12-15-2-5-20(24)21(25)10-15/h2,4-6,8-11,17,23,27H,3,7,12-14H2,1H3/t17-,23-
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| InChIKey |
GGBBBGOHXWJLMT-QBNMFFNISA-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