General Information of the Compound
| Compound ID |
CP0528056
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| Compound Name |
2-(2-(3-(4-(dimethylamino)phenyl)-1-pentylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H37N3O3S
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| Molecular Weight |
483.678
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| Canonical SMILES |
CCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C27H37N3O3S/c1-6-7-8-15-30(26(33)28-21-10-12-22(13-11-21)29(4)5)23-16-19-9-14-24(18-20(19)17-23)34-27(2,3)25(31)32/h9-14,18,23H,6-8,15-17H2,1-5H3,(H,28,33)(H,31,32)
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| InChIKey |
IRZVMWFMJNYYLC-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