General Information of the Compound
| Compound ID |
CP0726208
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| Compound Name |
2-(4-(4-(benzo[d]thiazol-2-yl)piperidine-1-carbonyl)-3-methylpyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H21N5O2S2
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| Molecular Weight |
487.61
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccnc1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H21N5O2S2/c1-14-16(6-10-26-20(14)22-27-18-9-13-33-21(18)23(31)29-22)25(32)30-11-7-15(8-12-30)24-28-17-4-2-3-5-19(17)34-24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,27,29,31)
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| InChIKey |
FQHNSWKMBWBCFS-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