General Information of the Compound
| Compound ID |
CP0439682
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| Compound Name |
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
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| Structure |
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| Formula |
C21H21N7S
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| Molecular Weight |
403.515
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| Canonical SMILES |
CN(C)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)n1
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| InChI |
InChI=1S/C21H21N7S/c1-14-17(4-5-19(24-14)26(2)3)27-11-7-15-18(6-9-22-20(15)27)28-12-8-16(25-28)21-23-10-13-29-21/h4-6,8-10,12-13H,7,11H2,1-3H3
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| InChIKey |
STZCQJALUQZDHH-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