General Information of the Compound
| Compound ID |
CP0555133
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| Compound Name |
(S)-N-(3-(dimethylamino)propyl)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C24H35N3O4S
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| Molecular Weight |
461.628
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN(C)C
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| InChI |
InChI=1S/C24H35N3O4S/c1-17-15-22(31-6)18(2)19(3)23(17)32(29,30)26-21(16-20-11-8-7-9-12-20)24(28)25-13-10-14-27(4)5/h7-9,11-12,15,21,26H,10,13-14,16H2,1-6H3,(H,25,28)/t21-/m0/s1
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| InChIKey |
VYTGZTHGKWQSCL-NRFANRHFSA-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