General Information of the Compound
| Compound ID |
CP0390994
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| Compound Name |
(2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1R,3'R)-3'-ethylspiro[indene-1,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)butanamide
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| Structure |
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| Formula |
C34H33F7N2O
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| Molecular Weight |
618.637
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| Canonical SMILES |
CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CC[C@@]11C=Cc2ccccc12
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| InChI |
InChI=1S/C34H33F7N2O/c1-2-25-21-43(16-14-32(25)13-11-24-5-3-4-6-30(24)32)15-12-29(23-7-9-28(35)10-8-23)31(44)42-20-22-17-26(33(36,37)38)19-27(18-22)34(39,40)41/h3-11,13,17-19,25,29H,2,12,14-16,20-21H2,1H3,(H,42,44)/t25-,29-,32-/m0/s1
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| InChIKey |
MIEZOKPKWGNDIY-PKLKWBPYSA-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