General Information of the Compound
| Compound ID |
CP0254457
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| Compound Name |
3-[2-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}amino)-1,3-benzothiazol-6-yl]benzoic acid
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| Structure |
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| Formula |
C27H21Cl2N3O3S
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| Molecular Weight |
538.456
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| Canonical SMILES |
CC(C)c1onc(c1CNc1nc2ccc(cc2s1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H21Cl2N3O3S/c1-14(2)25-18(24(32-35-25)23-19(28)7-4-8-20(23)29)13-30-27-31-21-10-9-16(12-22(21)36-27)15-5-3-6-17(11-15)26(33)34/h3-12,14H,13H2,1-2H3,(H,30,31)(H,33,34)
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| InChIKey |
HYJSTCZABVAHEJ-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