General Information of the Compound
| Compound ID |
CP0935766
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| Compound Name |
rac-cis-N-Cyclopropyl-4-({2-methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenyl-1-piperidinecarboxamidehydrochloride
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| Structure |
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| Formula |
C25H29ClF3N7O2
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| Molecular Weight |
552.001
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NC2CC2)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C25H28F3N7O2.ClH/c1-37-22-10-9-19(35-23(25(26,27)28)31-32-33-35)13-17(22)14-29-21-11-12-34(24(36)30-18-7-8-18)15-20(21)16-5-3-2-4-6-16;/h2-6,9-10,13,18,20-21,29H,7-8,11-12,14-15H2,1H3,(H,30,36);1H/t20-,21-;/m0./s1
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| InChIKey |
KZVVVSAKGVIOLO-GUTACTQSSA-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