General Information of the Compound
| Compound ID |
CP0450233
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| Compound Name |
3-chloro-N-[(1S,3S)-3-(cyclohexanecarbonylamino)cyclohexyl]benzamide
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| Structure |
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| Formula |
C20H27ClN2O2
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| Molecular Weight |
362.901
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)C1CCCCC1
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| InChI |
InChI=1S/C20H27ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h4,8-9,12,14,17-18H,1-3,5-7,10-11,13H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
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| InChIKey |
YIXIXHNFJBGDOA-ROUUACIJSA-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