General Information of the Compound
| Compound ID |
CP0219341
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| Compound Name |
oxan-4-ylmethyl (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 |
C30H41F3N4O6
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| Molecular Weight |
610.674
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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)OCC1CCOCC1
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| InChI |
InChI=1S/C30H41F3N4O6/c1-40-26-17-42-9-5-25(26)35-23-11-22-15-37(28(39)43-16-19-3-7-41-8-4-19)18-29(22,12-23)27(38)36-6-2-24-20(14-36)10-21(13-34-24)30(31,32)33/h10,13,19,22-23,25-26,35H,2-9,11-12,14-18H2,1H3/t22-,23+,25?,26?,29-/m0/s1
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| InChIKey |
UMVVPWCKXOKAFV-ZMSNHJSUSA-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