General Information of the Compound
| Compound ID |
CP0923107
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| Compound Name |
(3R)-2-((3R)-4-(3-fluorophenyl)-3-(oxirane-2-carboxamido)butanoyl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
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| Formula |
C26H27FN4O4
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| Molecular Weight |
478.524
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| Canonical SMILES |
CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)C[C@@H](Cc1cccc(F)c1)NC(=O)C1CO1
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| InChI |
InChI=1S/C26H27FN4O4/c1-28-25(33)22-12-19-18-7-2-3-8-20(18)30-21(19)13-31(22)24(32)11-17(29-26(34)23-14-35-23)10-15-5-4-6-16(27)9-15/h2-9,17,22-23,30H,10-14H2,1H3,(H,28,33)(H,29,34)/t17-,22-,23?/m1/s1
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| InChIKey |
UMWWEZMNPBLTBD-SHVQYXQLSA-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