General Information of the Compound
| Compound ID |
CP0002641
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| Compound Name |
(S)-2-((S)-1-(3,5-dichlorophenylsulfonyl)pyrrolidine-2-carboxamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C20H20Cl2N2O5S
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| Molecular Weight |
471.362
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C20H20Cl2N2O5S/c21-14-10-15(22)12-16(11-14)30(28,29)24-8-4-7-18(24)19(25)23-17(20(26)27)9-13-5-2-1-3-6-13/h1-3,5-6,10-12,17-18H,4,7-9H2,(H,23,25)(H,26,27)/t17-,18-/m0/s1
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| InChIKey |
DBUZBTZXIHIIOJ-ROUUACIJSA-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