General Information of the Compound
| Compound ID |
CP0874162
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| Compound Name |
2-[(5,6,7,8-Tetrahydro-naphthalene-1-carbonyl)-amino]-5-trifluoromethyl-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H20F3NO3
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| Molecular Weight |
403.4
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| Canonical SMILES |
O=C(NC1(C(=O)O)Cc2ccc(C(F)(F)F)cc2C1)c1cccc2c1CCCC2
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| InChI |
InChI=1S/C22H20F3NO3/c23-22(24,25)16-9-8-14-11-21(20(28)29,12-15(14)10-16)26-19(27)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H,26,27)(H,28,29)
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| InChIKey |
ZRRSNBBGZBTVMN-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