General Information of the Compound
| Compound ID |
CP0966272
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| Compound Name |
N-[(1R,3S)-3-[(3aS,6aS)-4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H31FN4O2
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| Molecular Weight |
426.536
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| Canonical SMILES |
CC(=O)N1CC[C@H]2[C@@H]1CCN2[C@H]1CCC[C@@H](NC(=O)c2cc3c(F)ccc(C)c3[nH]2)C1
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| InChI |
InChI=1S/C24H31FN4O2/c1-14-6-7-19(25)18-13-20(27-23(14)18)24(31)26-16-4-3-5-17(12-16)29-11-9-21-22(29)8-10-28(21)15(2)30/h6-7,13,16-17,21-22,27H,3-5,8-12H2,1-2H3,(H,26,31)/t16-,17+,21+,22+/m1/s1
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| InChIKey |
HYRNTLIUNYBKBX-CTOYSFNJSA-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