General Information of the Compound
| Compound ID |
CP0282641
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| Compound Name |
N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m0/s1
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| InChIKey |
JAWPAUHQCGKVGI-LBPRGKRZSA-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