General Information of the Compound
| Compound ID |
CP0565050
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| Compound Name |
CHEMBL4878766
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| Formula |
C23H24ClN3O
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| Molecular Weight |
393.918
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccccc12
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| InChI |
InChI=1S/C23H24ClN3O/c1-2-19(26-23(28)14-7-9-15(24)10-8-14)22-17-11-16(12-18(17)22)27-13-25-20-5-3-4-6-21(20)27/h3-10,13,16-19,22H,2,11-12H2,1H3,(H,26,28)/t16-,17-,18+,19?,22+
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| InChIKey |
DWNULWBSCIJVRK-DNCGZWEUSA-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