General Information of the Compound
| Compound ID |
CP0473924
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| Compound Name |
1-[2-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]cycloheptan-1-ol
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| Structure |
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| Formula |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCCCC3)c2n1
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| InChI |
InChI=1S/C20H21N5O/c21-19-23-14-15-7-12-25(18(15)24-19)17-6-11-22-16(13-17)5-10-20(26)8-3-1-2-4-9-20/h6-7,11-14,26H,1-4,8-9H2,(H2,21,23,24)
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| InChIKey |
ZRWAMRBHLKCZES-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