General Information of the Compound
| Compound ID |
CP0479544
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| Compound Name |
(2S)-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]-methylamino]-3-(dimethylamino)propanoic acid
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| Structure |
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| Formula |
C29H34ClN3O5S
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| Molecular Weight |
572.127
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| Canonical SMILES |
CN(C)C[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O
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| InChI |
InChI=1S/C29H34ClN3O5S/c1-17-14-26(18(2)13-24(17)30)39(37,38)31-23-10-8-9-21(15-23)22-11-19(3)27(20(4)12-22)28(34)33(7)25(29(35)36)16-32(5)6/h8-15,25,31H,16H2,1-7H3,(H,35,36)/t25-/m0/s1
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| InChIKey |
NWPZMKFVNMUTAR-VWLOTQADSA-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