General Information of the Compound
| Compound ID |
CP0568964
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| Compound Name |
N-[(1S)-3-[(5aR,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
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| Structure |
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| Formula |
C26H35F2N5O
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| Molecular Weight |
471.596
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| Canonical SMILES |
Cc1nnc2CC[C@@H]3CN(CC[C@H](NC(=O)C4CCC(F)(F)CC4)c4ccccc4)CC[C@@H]3n12
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| InChI |
InChI=1S/C26H35F2N5O/c1-18-30-31-24-8-7-21-17-32(16-12-23(21)33(18)24)15-11-22(19-5-3-2-4-6-19)29-25(34)20-9-13-26(27,28)14-10-20/h2-6,20-23H,7-17H2,1H3,(H,29,34)/t21-,22+,23+/m1/s1
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| InChIKey |
FQDNCFMDNVWTMH-VJBWXMMDSA-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