General Information of the Compound
| Compound ID |
CP0544778
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| Compound Name |
(E)-4-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbut-2-enamide
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| Structure |
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| Formula |
C23H26Cl2N4O3S
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| Molecular Weight |
509.459
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| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)\C=C\CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl
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| InChI |
InChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+
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| InChIKey |
BJHLXUFUYYMYHT-SNAWJCMRSA-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