General Information of the Compound
| Compound ID |
CP0534187
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| Compound Name |
4-[5-[(2-carboxycyclohexen-1-yl)amino]-5-oxopent-1-ynyl]benzoic acid
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| Structure |
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| Formula |
C19H19NO5
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| Molecular Weight |
341.363
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H19NO5/c21-17(20-16-7-3-2-6-15(16)19(24)25)8-4-1-5-13-9-11-14(12-10-13)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)(H,24,25)
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| InChIKey |
MONVNASQEVKMMQ-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