General Information of the Compound
| Compound ID |
CP0234017
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| Compound Name |
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)urea
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| Structure |
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| Formula |
C30H36N10O2
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| Molecular Weight |
568.686
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C30H36N10O2/c1-3-40-29-25(17-32-40)28(39-18-23-9-10-24(19-39)42-23)35-27(36-29)20-4-6-21(7-5-20)33-30(41)34-22-8-11-26(31-16-22)38-14-12-37(2)13-15-38/h4-8,11,16-17,23-24H,3,9-10,12-15,18-19H2,1-2H3,(H2,33,34,41)
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| InChIKey |
VKSCSFHLPAAEGS-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