General Information of the Compound
| Compound ID |
CP0717334
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| Compound Name |
N-({[1-(4-Chloro-benzyl)-pyrrolidin-2-ylmethyl]-carbamoyl}-methyl)-3-trifluoromethyl-benzamide
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| Structure |
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| Formula |
C22H23ClF3N3O2
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| Molecular Weight |
453.892
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| Canonical SMILES |
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m0/s1
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| InChIKey |
XAFZUHZKNKPLQG-IBGZPJMESA-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