General Information of the Compound
| Compound ID |
CP0553137
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| Compound Name |
N-[(1-methylindol-5-yl)methyl]-3-[[4-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxamide
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| Formula |
C22H22F3N3O2
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| Molecular Weight |
417.431
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| Canonical SMILES |
Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cc4)C(F)(F)F)C3)ccc12
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| InChI |
InChI=1S/C22H22F3N3O2/c1-27-9-8-17-10-15(2-7-20(17)27)11-26-21(29)28-12-16(13-28)14-30-19-5-3-18(4-6-19)22(23,24)25/h2-10,16H,11-14H2,1H3,(H,26,29)
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| InChIKey |
AXWYGYRYNQEVTC-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