General Information of the Compound
| Compound ID |
CP0315924
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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-(2-fluoroethyl)urea
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| Structure |
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| Formula |
C30H35FN8O2
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| Molecular Weight |
558.662
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| Canonical SMILES |
FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C30H35FN8O2/c31-12-13-32-30(40)34-24-8-6-23(7-9-24)27-35-28(38-16-18-41-19-17-38)26-20-33-39(29(26)36-27)25-10-14-37(15-11-25)21-22-4-2-1-3-5-22/h1-9,20,25H,10-19,21H2,(H2,32,34,40)
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| InChIKey |
GVOIDFSKGKJIQS-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