General Information of the Compound
| Compound ID |
CP0040853
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| Compound Name |
2,5-dimethyl-3-(3-methyl-5-nitropyridin-2-yl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
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| Structure |
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| Formula |
C20H26N6O2
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| Molecular Weight |
382.468
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| Canonical SMILES |
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C20H26N6O2/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(12-21-19)26(27)28/h10-12H,6-9H2,1-5H3
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| InChIKey |
GYFFFGHMKGSACD-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