General Information of the Compound
| Compound ID |
CP0073829
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| Compound Name |
[4-[6-amino-5-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C29H31F3N4O2
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| Molecular Weight |
524.587
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| Canonical SMILES |
Nc1ncc(cc1OCc1ccccc1C(F)(F)F)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C29H31F3N4O2/c30-29(31,32)25-8-2-1-6-22(25)19-38-26-16-23(17-34-27(26)33)20-9-11-21(12-10-20)28(37)36-15-5-7-24(36)18-35-13-3-4-14-35/h1-2,6,8-12,16-17,24H,3-5,7,13-15,18-19H2,(H2,33,34)/t24-/m1/s1
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| InChIKey |
VBZNTJZERXQKQT-XMMPIXPASA-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