General Information of the Compound
| Compound ID |
CP0498534
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| Compound Name |
pyrazolo pyrimidine, 16
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| Structure |
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| Formula |
C24H31N9O3
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| Molecular Weight |
493.572
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)NC)c2n1
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| InChI |
InChI=1S/C24H31N9O3/c1-25-23(34)28-17-5-3-16(4-6-17)20-29-21(31-11-13-36-14-12-31)19-15-27-33(22(19)30-20)18-7-9-32(10-8-18)24(35)26-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,35)(H2,25,28,34)
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| InChIKey |
IYBMOXXTNOCCOV-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