General Information of the Compound
| Compound ID |
CP0422692
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| Compound Name |
CHEMBL4868286
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| Formula |
C23H23ClN2O2
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| Molecular Weight |
394.902
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| Canonical SMILES |
Clc1ccc(NC(=O)C[C@H]2CC[C@H](CC2)Oc2ccnc3ccccc23)cc1
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| InChI |
InChI=1S/C23H23ClN2O2/c24-17-7-9-18(10-8-17)26-23(27)15-16-5-11-19(12-6-16)28-22-13-14-25-21-4-2-1-3-20(21)22/h1-4,7-10,13-14,16,19H,5-6,11-12,15H2,(H,26,27)/t16-,19+
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| InChIKey |
CEFZUMMXCKZZDF-UWUNEBHHSA-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