General Information of the Compound
| Compound ID |
CP0564411
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| Compound Name |
1-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]-3-(1,3-thiazol-2-yl)pent-1-yn-3-ol
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| Structure |
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| Formula |
C19H16N6OS
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| Molecular Weight |
376.445
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| Canonical SMILES |
CCC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1nccs1
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| InChI |
InChI=1S/C19H16N6OS/c1-2-19(26,17-22-8-10-27-17)6-3-14-11-15(4-7-21-14)25-9-5-13-12-23-18(20)24-16(13)25/h4-5,7-12,26H,2H2,1H3,(H2,20,23,24)
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| InChIKey |
NIVVDCJGALEVFA-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