General Information of the Compound
| Compound ID |
CP0224933
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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-pyridin-3-ylurea
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| Structure |
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| Formula |
C33H35N9O2
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| Molecular Weight |
589.704
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| Canonical SMILES |
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1)Nc1cccnc1
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| InChI |
InChI=1S/C33H35N9O2/c43-33(37-27-7-4-14-34-21-27)36-26-10-8-25(9-11-26)30-38-31(41-17-19-44-20-18-41)29-22-35-42(32(29)39-30)28-12-15-40(16-13-28)23-24-5-2-1-3-6-24/h1-11,14,21-22,28H,12-13,15-20,23H2,(H2,36,37,43)
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| InChIKey |
NHQOSODHGLNYEK-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