General Information of the Compound
| Compound ID |
CP0464142
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| Compound Name |
(3R,4S)-tert-butyl 3-((3,5-bis(trifluoromethyl)benzyl)carbamoyl)-4-phenylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C26H28F6N2O3
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| Molecular Weight |
530.509
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H28F6N2O3/c1-24(2,3)37-23(36)34-10-9-20(17-7-5-4-6-8-17)21(15-34)22(35)33-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h4-8,11-13,20-21H,9-10,14-15H2,1-3H3,(H,33,35)/t20-,21+/m1/s1
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| InChIKey |
BVQGYVXUNMZWGR-RTWAWAEBSA-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