General Information of the Compound
| Compound ID |
CP0577935
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| Compound Name |
N-[4-[2-(3-aminopropyl)-4-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide
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| Structure |
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| Formula |
C24H21F3N6O3S2
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| Molecular Weight |
562.599
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| Canonical SMILES |
CC(=O)Nc1nccc(n1)-c1sc(CCCN)nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C24H21F3N6O3S2/c1-13(34)30-24-29-11-9-18(31-24)23-22(32-20(37-23)6-3-10-28)15-4-2-5-17(21(15)27)33-38(35,36)19-12-14(25)7-8-16(19)26/h2,4-5,7-9,11-12,33H,3,6,10,28H2,1H3,(H,29,30,31,34)
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| InChIKey |
VTXWTYCPNBXZFU-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