General Information of the Compound
| Compound ID |
CP0454148
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| Compound Name |
2-(2-(1-heptyl-3-(4-isopropylphenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C30H42N2O3S
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| Molecular Weight |
510.744
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| Canonical SMILES |
CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C30H42N2O3S/c1-6-7-8-9-10-17-32(29(35)31-25-14-11-22(12-15-25)21(2)3)26-18-23-13-16-27(20-24(23)19-26)36-30(4,5)28(33)34/h11-16,20-21,26H,6-10,17-19H2,1-5H3,(H,31,35)(H,33,34)
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| InChIKey |
GIHIOICDSCNLEH-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