General Information of the Compound
| Compound ID |
CP0461674
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| Compound Name |
(S)-3-(4-(4-(5-acetylthiophen-2-yl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C30H34N4O6S2
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| Molecular Weight |
610.758
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| Canonical SMILES |
CC(=O)c1ccc(s1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H34N4O6S2/c1-21(35)27-13-14-28(41-27)33-18-16-32(17-19-33)23-11-9-22(10-12-23)20-25(30(37)38)31-29(36)26-8-5-15-34(26)42(39,40)24-6-3-2-4-7-24/h2-4,6-7,9-14,25-26H,5,8,15-20H2,1H3,(H,31,36)(H,37,38)/t25-,26-/m0/s1
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| InChIKey |
FIDSZJIEJDCVCK-UIOOFZCWSA-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