General Information of the Compound
| Compound ID |
CP0459707
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| Compound Name |
CHEMBL3361173
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| Formula |
C24H24ClN3O2
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| Molecular Weight |
421.928
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H24ClN3O2/c25-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)27-24(28-22)26-15-16-6-8-19(9-7-16)23(29)30/h1-5,10-14,16,19H,6-9,15H2,(H,29,30)(H,26,27,28)/t16-,19-
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| InChIKey |
CEFWEMCITHXFEL-RUCARUNLSA-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