General Information of the Compound
| Compound ID |
CP0441740
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| Compound Name |
(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-N-propylpropanamide
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| Structure |
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| Formula |
C30H45ClN4O4S
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| Molecular Weight |
593.234
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| Canonical SMILES |
CCCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C
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| InChI |
InChI=1S/C30H45ClN4O4S/c1-7-13-35(15-8-14-34-18-16-33(5)17-19-34)30(36)27(21-25-9-11-26(31)12-10-25)32-40(37,38)29-22(2)20-28(39-6)23(3)24(29)4/h9-12,20,27,32H,7-8,13-19,21H2,1-6H3/t27-/m0/s1
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| InChIKey |
NOQTVEQQFDZAGW-MHZLTWQESA-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