General Information of the Compound
| Compound ID |
CP0553512
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| Compound Name |
(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H21N5O2S
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| Molecular Weight |
419.51
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| Canonical SMILES |
Cc1c(sc2nccc(C)c12)C(=O)N1CCN(CC1)C(=O)c1[nH]nc2ccccc12
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| InChI |
InChI=1S/C22H21N5O2S/c1-13-7-8-23-20-17(13)14(2)19(30-20)22(29)27-11-9-26(10-12-27)21(28)18-15-5-3-4-6-16(15)24-25-18/h3-8H,9-12H2,1-2H3,(H,24,25)
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| InChIKey |
GGDMGLPCUITIKX-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