General Information of the Compound
| Compound ID |
CP0544812
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| Compound Name |
3-[(4Z)-4-[[5-[4-chloro-3-(oxan-4-ylmethylcarbamoyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C29H26ClN3O6
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| Molecular Weight |
547.995
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CCOCC1)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C29H26ClN3O6/c1-17-23(28(35)33(32-17)21-4-2-3-20(13-21)29(36)37)15-22-6-8-26(39-22)19-5-7-25(30)24(14-19)27(34)31-16-18-9-11-38-12-10-18/h2-8,13-15,18H,9-12,16H2,1H3,(H,31,34)(H,36,37)/b23-15-
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| InChIKey |
BZMSNXCSKWDVCM-HAHDFKILSA-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