General Information of the Compound
| Compound ID |
CP0891672
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| Compound Name |
rac-cis-N-Ethyl-4-({2-(cyclopropyloxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenylpiperidine-1-carboxamide hydrochloride
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| Structure |
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| Formula |
C26H31ClF3N7O2
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| Molecular Weight |
566.028
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| Canonical SMILES |
CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC2CC2)[C@H](c2ccccc2)C1.Cl
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| InChI |
InChI=1S/C26H30F3N7O2.ClH/c1-2-30-25(37)35-13-12-22(21(16-35)17-6-4-3-5-7-17)31-15-18-14-19(8-11-23(18)38-20-9-10-20)36-24(26(27,28)29)32-33-34-36;/h3-8,11,14,20-22,31H,2,9-10,12-13,15-16H2,1H3,(H,30,37);1H/t21-,22-;/m0./s1
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| InChIKey |
SZCQGOUSQIIVEH-VROPFNGYSA-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