General Information of the Compound
| Compound ID |
CP0069632
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| Compound Name |
(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-carboxamide
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| Structure |
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| Formula |
C24H32F3N5O4
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| Molecular Weight |
511.545
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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(N)=O
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| InChI |
InChI=1S/C24H32F3N5O4/c1-35-20-12-36-5-3-19(20)30-17-7-16-11-32(22(28)34)13-23(16,8-17)21(33)31-4-2-18-14(10-31)6-15(9-29-18)24(25,26)27/h6,9,16-17,19-20,30H,2-5,7-8,10-13H2,1H3,(H2,28,34)/t16-,17+,19?,20?,23-/m0/s1
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| InChIKey |
WFUNRAVTLHMZKM-KSGOAOSESA-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