General Information of the Compound
| Compound ID |
CP0517748
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| Compound Name |
1-phenyl-3-[6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)hex-3-ynyl]urea
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
O=C(NCCC#CCCNc1ncnc2[nH]ccc12)Nc1ccccc1
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| InChI |
InChI=1S/C19H20N6O/c26-19(25-15-8-4-3-5-9-15)22-12-7-2-1-6-11-20-17-16-10-13-21-18(16)24-14-23-17/h3-5,8-10,13-14H,6-7,11-12H2,(H2,22,25,26)(H2,20,21,23,24)
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| InChIKey |
FQENLUBXRSGGOA-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