General Information of the Compound
| Compound ID |
CP0455621
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-[(4-pyrazol-1-ylphenyl)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)-n2cccn2)c2cccnc12
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| InChI |
InChI=1S/C23H23N5O3/c29-21-15-31-12-8-19(21)26-23(30)18-14-27(20-3-1-9-24-22(18)20)13-16-4-6-17(7-5-16)28-11-2-10-25-28/h1-7,9-11,14,19,21,29H,8,12-13,15H2,(H,26,30)/t19-,21-/m0/s1
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| InChIKey |
SLELEIAPYGGKBT-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