General Information of the Compound
| Compound ID |
CP0463254
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| Compound Name |
1-[2-[4-[(2-bromophenyl)methyl]-4-hydroxypiperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
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| Structure |
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| Formula |
C22H25BrN4O2S
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| Molecular Weight |
489.439
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| Canonical SMILES |
OC1(Cc2ccccc2Br)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1
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| InChI |
InChI=1S/C22H25BrN4O2S/c23-17-4-2-1-3-16(17)15-22(29)7-11-27(12-8-22)13-10-25-21(28)26-19-5-9-24-18-6-14-30-20(18)19/h1-6,9,14,29H,7-8,10-13,15H2,(H2,24,25,26,28)
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| InChIKey |
JHLFMNNSLLFBLU-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