General Information of the Compound
| Compound ID |
CP0812548
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| Compound Name |
2-(4-(4-(benzo[d]thiazol-2-yl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C24H19N5O2S2
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| Molecular Weight |
473.583
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| Canonical SMILES |
O=C(c1ccnc(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(c2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C24H19N5O2S2/c30-22-20-17(8-12-32-20)26-21(28-22)18-13-15(5-9-25-18)24(31)29-10-6-14(7-11-29)23-27-16-3-1-2-4-19(16)33-23/h1-5,8-9,12-14H,6-7,10-11H2,(H,26,28,30)
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| InChIKey |
JYJILRIPOMWLCZ-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