General Information of the Compound
Compound ID |
CP0915969
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Compound Name |
rac-cis-N-Isopropyl-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 |
C25H31ClF3N7O2
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Molecular Weight |
554.017
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Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NC(C)C)C[C@H]1c1ccccc1.Cl
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InChI |
InChI=1S/C25H30F3N7O2.ClH/c1-16(2)30-24(36)34-12-11-21(20(15-34)17-7-5-4-6-8-17)29-14-18-13-19(9-10-22(18)37-3)35-23(25(26,27)28)31-32-33-35;/h4-10,13,16,20-21,29H,11-12,14-15H2,1-3H3,(H,30,36);1H/t20-,21-;/m0./s1
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InChIKey |
TWNYOAUCGVFICN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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