General Information of the Compound
| Compound ID |
CP0951452
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| Compound Name |
2-(5-methyl-4-(4-(4-(pyridin-3-yl)thiazol-2-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 |
C25H25N7O2S
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| Molecular Weight |
487.589
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc(-c4cccnc4)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H25N7O2S/c1-15-19(13-27-32(15)25-29-20-6-2-5-18(20)22(33)30-25)24(34)31-10-7-16(8-11-31)23-28-21(14-35-23)17-4-3-9-26-12-17/h3-4,9,12-14,16H,2,5-8,10-11H2,1H3,(H,29,30,33)
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| InChIKey |
WDDFORBAGMTWKN-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