General Information of the Compound
| Compound ID |
CP0951810
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| Compound Name |
2-[2-(-2-Cyclopropyl-vinyl)-3-methyl-benzoylamino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C23H23NO3
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| Molecular Weight |
361.441
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1/C=C/C1CC1
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| InChI |
InChI=1S/C23H23NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,24,25)(H,26,27)/b12-11+
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| InChIKey |
MCKNHMQFPZQZNR-VAWYXSNFSA-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