General Information of the Compound
| Compound ID |
CP0434574
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| Compound Name |
2-(3-chlorophenoxy)-N-((1S,5R,6s)-3-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)acetamide
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| Formula |
C25H23ClF3N3O2
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| Molecular Weight |
489.925
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C25H23ClF3N3O2/c26-18-2-1-3-20(10-18)34-15-23(33)30-24-21-13-31(14-22(21)24)11-16-8-9-32(12-16)19-6-4-17(5-7-19)25(27,28)29/h1-10,12,21-22,24H,11,13-15H2,(H,30,33)/t21-,22+,24+
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| InChIKey |
JPBYUWGZWBLOSD-FIDNPTQWSA-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