General Information of the Compound
| Compound ID |
CP0488092
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| Compound Name |
2-[[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
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| Structure |
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| Formula |
C23H27Cl2N5O4S
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| Molecular Weight |
540.473
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| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl
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| InChI |
InChI=1S/C23H27Cl2N5O4S/c1-15-18(24)8-9-19(22(15)25)35(33,34)30(3)14-20(31)28-12-21(32)29(2)13-16-4-6-17(7-5-16)23-26-10-11-27-23/h4-9H,10-14H2,1-3H3,(H,26,27)(H,28,31)
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| InChIKey |
PLHOBTDKXXTKQI-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