General Information of the Compound
| Compound ID |
CP0953005
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| Compound Name |
N-[(1R,3S)-3-[(3aS,6aS)-1-acetyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-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]2CN([C@H]3CCC[C@@H](NC(=O)c4cc5c(F)ccc(C)c5[nH]4)C3)C[C@H]21
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| InChI |
InChI=1S/C24H31FN4O2/c1-14-6-7-20(25)19-11-21(27-23(14)19)24(31)26-17-4-3-5-18(10-17)28-12-16-8-9-29(15(2)30)22(16)13-28/h6-7,11,16-18,22,27H,3-5,8-10,12-13H2,1-2H3,(H,26,31)/t16-,17+,18-,22+/m0/s1
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| InChIKey |
BMQZZTFEYYPYNC-RQXXJAGISA-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