General Information of the Compound
| Compound ID |
CP0029560
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| Compound Name |
3-chloro-N,N-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide
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| Structure |
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| Formula |
C20H19ClN6O
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| Molecular Weight |
394.866
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
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| InChI |
InChI=1S/C20H19ClN6O/c1-26(2)20(28)12-4-5-16(15(21)6-12)25-19-8-18-13(9-22-19)7-17(24-18)14-10-23-27(3)11-14/h4-11,24H,1-3H3,(H,22,25)
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| InChIKey |
STYHVKGHURWWNT-UHFFFAOYSA-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