General Information of the Compound
| Compound ID |
CP0485020
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(S)-1-[2-(4-trifluoromethyl-phenyl)-ethyl]-piperidin-3-ylmethyl}-urea
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| Structure |
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| Formula |
C26H32F3N7O
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| Molecular Weight |
515.584
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(cc3)C(F)(F)F)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H32F3N7O/c1-3-18-13-21(24-32-33-34-35(24)2)15-23(14-18)31-25(37)30-16-20-5-4-11-36(17-20)12-10-19-6-8-22(9-7-19)26(27,28)29/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,30,31,37)/t20-/m0/s1
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| InChIKey |
KXERXXCRZSCSRV-FQEVSTJZSA-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