General Information of the Compound
| Compound ID |
CP0315897
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| Compound Name |
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2-(dimethylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-ethylurea
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| Structure |
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| Formula |
C24H32N8O2
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| Molecular Weight |
464.574
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCN(C)C)c2n1
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| InChI |
InChI=1S/C24H32N8O2/c1-4-25-24(33)27-17-7-5-16(6-8-17)21-28-22(31-14-18-9-10-19(15-31)34-18)20-13-26-32(23(20)29-21)12-11-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33)
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| InChIKey |
CVMBXWIKSOMGQU-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