General Information of the Compound
| Compound ID |
CP0547885
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| Compound Name |
3-[(4Z)-4-[[5-[4-(cyclopropylmethylcarbamoyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C27H23N3O5
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| Molecular Weight |
469.497
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCC1CC1)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C27H23N3O5/c1-16-23(26(32)30(29-16)21-4-2-3-20(13-21)27(33)34)14-22-11-12-24(35-22)18-7-9-19(10-8-18)25(31)28-15-17-5-6-17/h2-4,7-14,17H,5-6,15H2,1H3,(H,28,31)(H,33,34)/b23-14-
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| InChIKey |
KGBIVKAZJJGKMZ-UCQKPKSFSA-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