General Information of the Compound
| Compound ID |
CP0512235
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| Compound Name |
US8614213, 12
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N[C@H]1CC[C@H](CNc2ccccc2)CC1
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| InChI |
InChI=1S/C20H23ClN2O/c21-17-6-4-5-16(13-17)20(24)23-19-11-9-15(10-12-19)14-22-18-7-2-1-3-8-18/h1-8,13,15,19,22H,9-12,14H2,(H,23,24)/t15-,19-
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| InChIKey |
BMHDAOMNPMWTER-RHDGDCLCSA-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