General Information of the Compound
| Compound ID |
CP0438351
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| Compound Name |
4-[2-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]piperidin-4-ol
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCNCC3)c2n1
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| InChI |
InChI=1S/C18H18N6O/c19-17-22-12-13-3-10-24(16(13)23-17)15-2-7-21-14(11-15)1-4-18(25)5-8-20-9-6-18/h2-3,7,10-12,20,25H,5-6,8-9H2,(H2,19,22,23)
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| InChIKey |
ADYBDDKIBWHJQQ-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