General Information of the Compound
| Compound ID |
CP0415030
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| Compound Name |
4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C23H22Cl2N4O3S2
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| Molecular Weight |
537.494
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)[C@H]1CCN(C1)[C@H]1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C23H22Cl2N4O3S2/c24-17-11-16(12-18(25)13-17)15-5-8-28(14-15)21-6-9-29(22(21)30)19-1-3-20(4-2-19)34(31,32)27-23-26-7-10-33-23/h1-4,7,10-13,15,21H,5-6,8-9,14H2,(H,26,27)/t15-,21-/m0/s1
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| InChIKey |
YGHCKDOMNUKAHH-BTYIYWSLSA-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