General Information of the Compound
| Compound ID |
CP0950994
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| Compound Name |
2-[(5,6,7,8-Tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1CCCC2
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| InChI |
InChI=1S/C21H21NO3/c23-19(18-11-5-9-14-6-3-4-10-17(14)18)22-21(20(24)25)12-15-7-1-2-8-16(15)13-21/h1-2,5,7-9,11H,3-4,6,10,12-13H2,(H,22,23)(H,24,25)
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| InChIKey |
YAJDKGWZDVHDQJ-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