General Information of the Compound
| Compound ID |
CP0514933
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,1-dimethyl-2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide
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| Formula |
C34H42F6N2O2
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| Molecular Weight |
624.71
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| Canonical SMILES |
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(CC1)C1CCOC1(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C34H42F6N2O2/c1-22(24-19-26(33(35,36)37)21-27(20-24)34(38,39)40)30(43)41-32(25-7-5-4-6-8-25)14-9-28(10-15-32)42-16-11-23(12-17-42)29-13-18-44-31(29,2)3/h4-8,19-23,28-29H,9-18H2,1-3H3,(H,41,43)/t22?,28-,29?,32+
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| InChIKey |
JOPRCPKSWSXBTD-FRJQFDSNSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor