General Information of the Compound
| Compound ID |
CP0041927
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| Compound Name |
(2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-cyclopropyl-4-[(1R,3R')-3'methyl-1'H-spiro[indene-1,4'-piperidin]-1'yl]butanamide
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| Structure |
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| Formula |
C30H32F6N2O
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| Molecular Weight |
550.587
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| Canonical SMILES |
C[C@H]1CN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12
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| InChI |
InChI=1S/C30H32F6N2O/c1-19-18-38(13-11-28(19)10-8-22-4-2-3-5-26(22)28)12-9-25(21-6-7-21)27(39)37-17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h2-5,8,10,14-16,19,21,25H,6-7,9,11-13,17-18H2,1H3,(H,37,39)/t19-,25-,28-/m0/s1
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| InChIKey |
XLRKVUXIKLTNKO-TVIOGVOPSA-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