General Information of the Compound
| Compound ID |
CP0823423
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| Compound Name |
2-(5-methyl-4-(4-methyl-1,2,3,4-tetrahydroquinoxaline-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C)c3ccccc32)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H22N6O2/c1-13-15(20(29)26-11-10-25(2)17-8-3-4-9-18(17)26)12-22-27(13)21-23-16-7-5-6-14(16)19(28)24-21/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,23,24,28)
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| InChIKey |
YOGZKRSFMIQLQJ-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