General Information of the Compound
| Compound ID |
CP0085738
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| Compound Name |
2-(oxan-4-yl)ethyl (3aR,5R,6aR)-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-carboxylate
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| Structure |
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| Formula |
C31H43F3N4O6
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| Molecular Weight |
624.701
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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)OCCC1CCOCC1
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| InChI |
InChI=1S/C31H43F3N4O6/c1-41-27-18-43-10-6-26(27)36-24-13-23-17-38(29(40)44-11-5-20-3-8-42-9-4-20)19-30(23,14-24)28(39)37-7-2-25-21(16-37)12-22(15-35-25)31(32,33)34/h12,15,20,23-24,26-27,36H,2-11,13-14,16-19H2,1H3/t23-,24+,26?,27?,30-/m0/s1
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| InChIKey |
IBTNWMCVNRBLLN-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