General Information of the Compound
| Compound ID |
CP0383848
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| Compound Name |
2-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-5-thiophen-2-ylbenzonitrile
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| Structure |
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| Formula |
C24H16N6S2
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| Molecular Weight |
452.568
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| Canonical SMILES |
N#Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)-c1cccs1
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| InChI |
InChI=1S/C24H16N6S2/c25-15-17-14-16(22-2-1-12-31-22)3-4-20(17)29-10-6-18-21(5-8-26-23(18)29)30-11-7-19(28-30)24-27-9-13-32-24/h1-5,7-9,11-14H,6,10H2
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| InChIKey |
IUBYARQITZJLPM-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