General Information of the Compound
| Compound ID |
CP0823430
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| Compound Name |
2-(5-methyl-4-(4-(2-methyl-1H-indol-3-yl)piperidine-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 |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
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| InChI |
InChI=1S/C26H28N6O2/c1-15-23(18-6-3-4-8-21(18)28-15)17-10-12-31(13-11-17)25(34)20-14-27-32(16(20)2)26-29-22-9-5-7-19(22)24(33)30-26/h3-4,6,8,14,17,28H,5,7,9-13H2,1-2H3,(H,29,30,33)
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| InChIKey |
IXIBMIVZFCIQNK-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