General Information of the Compound
| Compound ID |
CP0713517
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| Compound Name |
2-(5-methyl-4-(1,2,3,4-tetrahydroisoquinoline-2-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 |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H21N5O2/c1-13-17(20(28)25-10-9-14-5-2-3-6-15(14)12-25)11-22-26(13)21-23-18-8-4-7-16(18)19(27)24-21/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,23,24,27)
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| InChIKey |
KKHHQNOWMVNMKF-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