General Information of the Compound
| Compound ID |
CP0866320
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| Compound Name |
2-[(5,6,7,8-Tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2,5-dicarboxylic acid
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| Structure |
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| Formula |
C22H21NO5
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| Molecular Weight |
379.412
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| Canonical SMILES |
O=C(O)c1ccc2c(c1)CC(NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2
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| InChI |
InChI=1S/C22H21NO5/c24-19(18-7-3-5-13-4-1-2-6-17(13)18)23-22(21(27)28)11-15-9-8-14(20(25)26)10-16(15)12-22/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26)(H,27,28)
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| InChIKey |
FIPXNIPYVQISBZ-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