General Information of the Compound
| Compound ID |
CP0085708
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| Compound Name |
(E)-1-[(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]pyrrol-2-yl]-3-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C32H37F3N4O4
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| Molecular Weight |
598.666
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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)\C=C\c1ccccc1
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| InChI |
InChI=1S/C32H37F3N4O4/c1-42-28-19-43-12-10-27(28)37-25-14-24-18-39(29(40)8-7-21-5-3-2-4-6-21)20-31(24,15-25)30(41)38-11-9-26-22(17-38)13-23(16-36-26)32(33,34)35/h2-8,13,16,24-25,27-28,37H,9-12,14-15,17-20H2,1H3/b8-7+/t24-,25+,27?,28?,31-/m0/s1
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| InChIKey |
YERUGZMUTOOIMT-NHRRVRGUSA-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