General Information of the Compound
| Compound ID |
CP0726220
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| Compound Name |
2-(4-(4-(benzo[d]thiazol-2-yl)piperidine-1-carbonyl)-5-cyclopropyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C26H26N6O2S
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| Molecular Weight |
486.601
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| Canonical SMILES |
O=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1C1CC1)N1CCC(c2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C26H26N6O2S/c33-23-17-4-3-6-19(17)29-26(30-23)32-22(15-8-9-15)18(14-27-32)25(34)31-12-10-16(11-13-31)24-28-20-5-1-2-7-21(20)35-24/h1-2,5,7,14-16H,3-4,6,8-13H2,(H,29,30,33)
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| InChIKey |
YAVXKZDNWNLGIO-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