General Information of the Compound
| Compound ID |
CP0861599
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| Compound Name |
5-Cyano-2-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H20N2O3
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| Molecular Weight |
360.413
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| Canonical SMILES |
N#Cc1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
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| InChI |
InChI=1S/C22H20N2O3/c23-13-14-8-9-16-11-22(21(26)27,12-17(16)10-14)24-20(25)19-7-3-5-15-4-1-2-6-18(15)19/h3,5,7-10H,1-2,4,6,11-12H2,(H,24,25)(H,26,27)
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| InChIKey |
ZFVKUJVTLNTZNS-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