General Information of the Compound
| Compound ID |
CP0498624
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| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-(2-(4-methylpiperazin-1-yl)ethyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C26H38N4O4S
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| Molecular Weight |
502.681
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCN(C)CC1
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| InChI |
InChI=1S/C26H38N4O4S/c1-19-17-24(34-5)20(2)21(3)25(19)35(32,33)28-23(18-22-9-7-6-8-10-22)26(31)27-11-12-30-15-13-29(4)14-16-30/h6-10,17,23,28H,11-16,18H2,1-5H3,(H,27,31)/t23-/m0/s1
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| InChIKey |
NGYJFOOPIYTQES-QHCPKHFHSA-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