General Information of the Compound
| Compound ID |
CP0419306
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| Compound Name |
6-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]-1-methylindazole-3-carboxylic acid
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| Structure |
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| Formula |
C31H24Cl3N3O4
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| Molecular Weight |
608.909
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| Canonical SMILES |
Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
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| InChI |
InChI=1S/C31H24Cl3N3O4/c1-37-26-11-16(7-9-19(26)29(35-37)31(38)39)20-13-21(20)18-10-8-17(12-25(18)34)40-14-22-28(36-41-30(22)15-5-6-15)27-23(32)3-2-4-24(27)33/h2-4,7-12,15,20-21H,5-6,13-14H2,1H3,(H,38,39)
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| InChIKey |
XVRQMMDRSOAMJJ-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