General Information of the Compound
| Compound ID |
CP0970274
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| Compound Name |
N-[(1R,3S)-3-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H29FN4O2
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| Molecular Weight |
412.509
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| Canonical SMILES |
Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN5C(=O)CC[C@H]5C4)C3)[nH]c12
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| InChI |
InChI=1S/C23H29FN4O2/c1-14-5-7-19(24)18-12-20(26-22(14)18)23(30)25-15-3-2-4-16(11-15)27-9-10-28-17(13-27)6-8-21(28)29/h5,7,12,15-17,26H,2-4,6,8-11,13H2,1H3,(H,25,30)/t15-,16+,17+/m1/s1
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| InChIKey |
UYSOGWLYOSWGNI-IKGGRYGDSA-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