General Information of the Compound
| Compound ID |
CP0883885
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| Compound Name |
2-(4-(4-(6-fluorobenzo[d]thiazol-2-yl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C24H23FN6O2S
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| Molecular Weight |
478.553
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc4ccc(F)cc4s3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C24H23FN6O2S/c1-13-17(12-26-31(13)24-28-18-4-2-3-16(18)21(32)29-24)23(33)30-9-7-14(8-10-30)22-27-19-6-5-15(25)11-20(19)34-22/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,28,29,32)
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| InChIKey |
MNQQHTDUIZBEBC-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