General Information of the Compound
| Compound ID |
CP0069637
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| Compound Name |
(3aR,5R,6aR)-N-benzyl-5-[(3-methoxyoxan-4-yl)amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C31H38F3N5O4
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| Molecular Weight |
601.67
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C31H38F3N5O4/c1-42-27-18-43-10-8-26(27)37-24-12-23-17-39(29(41)36-14-20-5-3-2-4-6-20)19-30(23,13-24)28(40)38-9-7-25-21(16-38)11-22(15-35-25)31(32,33)34/h2-6,11,15,23-24,26-27,37H,7-10,12-14,16-19H2,1H3,(H,36,41)/t23-,24+,26?,27?,30-/m0/s1
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| InChIKey |
NNYZSCCBOGOBTK-PZTWAGDZSA-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