General Information of the Compound
| Compound ID |
CP0466518
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| Compound Name |
N-[2-[[1-[4-(1H-indol-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H29F3N4O2
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| Molecular Weight |
498.549
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)C1CCC(CC1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H29F3N4O2/c28-27(29,30)19-5-3-4-18(12-19)26(36)32-14-25(35)33-20-15-34(16-20)21-10-8-17(9-11-21)23-13-31-24-7-2-1-6-22(23)24/h1-7,12-13,17,20-21,31H,8-11,14-16H2,(H,32,36)(H,33,35)
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| InChIKey |
FJNWTDVVZNEGPW-UHFFFAOYSA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2