General Information of the Compound
| Compound ID |
CP0434668
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| Compound Name |
N-[(2S)-1-[3-[(2,4-dichlorophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C25H29Cl2N3O4S2
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| Molecular Weight |
570.564
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCCN(C)S(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H29Cl2N3O4S2/c1-16(2)13-20(29-25(32)22-14-17-7-4-5-8-21(17)35-22)24(31)28-11-6-12-30(3)36(33,34)23-10-9-18(26)15-19(23)27/h4-5,7-10,14-16,20H,6,11-13H2,1-3H3,(H,28,31)(H,29,32)/t20-/m0/s1
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| InChIKey |
IXEUGYHQRMRBEZ-FQEVSTJZSA-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