General Information of the Compound
| Compound ID |
CP0947099
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(pyridin-3-yl)urea
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| Structure |
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| Formula |
C23H23N7O
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| Molecular Weight |
413.485
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| Canonical SMILES |
O=C(Nc1cccnc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
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| InChI |
InChI=1S/C23H23N7O/c31-23(29-19-7-2-9-24-13-19)28-18-6-1-4-16(12-18)17-5-3-11-30(14-17)22-20-8-10-25-21(20)26-15-27-22/h1-2,4,6-10,12-13,15,17H,3,5,11,14H2,(H,25,26,27)(H2,28,29,31)
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| InChIKey |
WJIPQBPPPBYQKD-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