General Information of the Compound
| Compound ID |
CP0956892
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| Compound Name |
rac-4-(3-Methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C12H16N4
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| Molecular Weight |
216.288
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| Canonical SMILES |
CC1CCCN(c2ncnc3[nH]ccc23)C1
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| InChI |
InChI=1S/C12H16N4/c1-9-3-2-6-16(7-9)12-10-4-5-13-11(10)14-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15)
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| InChIKey |
IJQQAHLJKAUYAK-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