General Information of the Compound
| Compound ID |
CP0738381
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| Compound Name |
2-(4-(4-(5-fluorobenzo[d]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 |
C23H21FN6O2S
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| Molecular Weight |
464.526
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| Canonical SMILES |
O=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC(c2nc3cc(F)ccc3s2)CC1
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| InChI |
InChI=1S/C23H21FN6O2S/c24-15-4-5-19-18(10-15)26-21(33-19)13-6-8-29(9-7-13)22(32)14-11-25-30(12-14)23-27-17-3-1-2-16(17)20(31)28-23/h4-5,10-13H,1-3,6-9H2,(H,27,28,31)
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| InChIKey |
BOEURQXXAPMOKJ-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