General Information of the Compound
| Compound ID |
CP0325200
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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}urea
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| Structure |
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| Formula |
C28H32N8O2
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| Molecular Weight |
512.618
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| Canonical SMILES |
NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C28H32N8O2/c29-28(37)31-22-8-6-21(7-9-22)25-32-26(35-14-16-38-17-15-35)24-18-30-36(27(24)33-25)23-10-12-34(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19H2,(H3,29,31,37)
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| InChIKey |
NNBQPBRMABHXMF-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