General Information of the Compound
| Compound ID |
CP0197700
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| Compound Name |
3-(2-chloro-4-((3-((3,5-dichloropyridin-4-ylamino)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C28H24Cl3N3O4
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| Molecular Weight |
572.876
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| Canonical SMILES |
CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C28H24Cl3N3O4/c1-16(2)27-21(25(34-38-27)14-33-26-23(30)12-32-13-24(26)31)15-37-20-9-8-18(22(29)11-20)7-6-17-4-3-5-19(10-17)28(35)36/h3-13,16H,14-15H2,1-2H3,(H,32,33)(H,35,36)/b7-6+
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| InChIKey |
AYBHGBNYWWOHIR-VOTSOKGWSA-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