General Information of the Compound
| Compound ID |
CP0395111
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cc[nH]n2)c2cccnc12
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| InChI |
InChI=1S/C23H23N5O3/c29-21-14-31-11-8-19(21)26-23(30)17-13-28(20-2-1-9-24-22(17)20)12-15-3-5-16(6-4-15)18-7-10-25-27-18/h1-7,9-10,13,19,21,29H,8,11-12,14H2,(H,25,27)(H,26,30)/t19-,21-/m0/s1
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| InChIKey |
DVQIVEMLCDIXIH-FPOVZHCZSA-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