General Information of the Compound
| Compound ID |
CP0476316
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| Compound Name |
methyl (3R,4S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C23H25F3N6O3
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| Molecular Weight |
490.486
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| Canonical SMILES |
COC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1
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| InChI |
InChI=1S/C23H25F3N6O3/c1-34-20-9-8-17(32-21(23(24,25)26)28-29-30-32)12-16(20)13-27-19-10-11-31(22(33)35-2)14-18(19)15-6-4-3-5-7-15/h3-9,12,18-19,27H,10-11,13-14H2,1-2H3/t18-,19-/m0/s1
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| InChIKey |
SRPGJTDSNNPYQF-OALUTQOASA-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