General Information of the Compound
| Compound ID |
CP0967258
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| Compound Name |
5-Carbamoyl-2-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
NC(=O)c1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
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| InChI |
InChI=1S/C22H22N2O4/c23-19(25)14-8-9-15-11-22(21(27)28,12-16(15)10-14)24-20(26)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H2,23,25)(H,24,26)(H,27,28)
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| InChIKey |
QVQHKJQFIIQHDQ-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