General Information of the Compound
| Compound ID |
CP0521572
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| Compound Name |
1-[2-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]cyclohexan-1-ol
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCCC3)c2n1
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| InChI |
InChI=1S/C19H19N5O/c20-18-22-13-14-6-11-24(17(14)23-18)16-5-10-21-15(12-16)4-9-19(25)7-2-1-3-8-19/h5-6,10-13,25H,1-3,7-8H2,(H2,20,22,23)
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| InChIKey |
XRYCZOXAGJIBSG-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