General Information of the Compound
| Compound ID |
CP0347344
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| Compound Name |
(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-N-propan-2-yl-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 |
C27H38F3N5O4
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| Molecular Weight |
553.626
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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)NC(C)C
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| InChI |
InChI=1S/C27H38F3N5O4/c1-16(2)32-25(37)35-13-19-9-20(33-22-5-7-39-14-23(22)38-3)10-26(19,15-35)24(36)34-6-4-21-17(12-34)8-18(11-31-21)27(28,29)30/h8,11,16,19-20,22-23,33H,4-7,9-10,12-15H2,1-3H3,(H,32,37)/t19-,20+,22?,23?,26-/m0/s1
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| InChIKey |
UFAGYRQBKWVNNK-YRURBQNNSA-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