General Information of the Compound
| Compound ID |
CP0085675
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| Compound Name |
3-[4-(azetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C16H13N5
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| Molecular Weight |
275.315
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| Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC3)c12
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| InChI |
InChI=1S/C16H13N5/c17-8-11-3-1-4-12(7-11)13-9-18-15-14(13)16(20-10-19-15)21-5-2-6-21/h1,3-4,7,9-10H,2,5-6H2,(H,18,19,20)
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| InChIKey |
RKFQALUUIOAQIO-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