General Information of the Compound
| Compound ID |
CP0271009
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| Compound Name |
1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo-[3,4-d]pyrimidin-6-yl]phenyl}-3-(1H-imidazol-2-yl)urea
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| Structure |
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| Formula |
C31H34N10O2
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| Molecular Weight |
578.681
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| Canonical SMILES |
O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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| InChIKey |
FTALCBNCXWPPIP-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