General Information of the Compound
| Compound ID |
CP0535511
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| Compound Name |
pyrazolo pyrimidine, 11
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| Structure |
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| Formula |
C30H35N7O3
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| Molecular Weight |
541.656
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| Canonical SMILES |
CCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C30H35N7O3/c1-2-40-30(38)32-24-10-8-23(9-11-24)27-33-28(36-16-18-39-19-17-36)26-20-31-37(29(26)34-27)25-12-14-35(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,2,12-19,21H2,1H3,(H,32,38)
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| InChIKey |
VFFFBCOSXJNTAY-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