General Information of the Compound
| Compound ID |
CP0457537
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| Compound Name |
(S)-3-(4-(4-(ethylcarbamoyl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C27H35N5O6S
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| Molecular Weight |
557.673
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| Canonical SMILES |
CCNC(=O)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/C27H35N5O6S/c1-2-28-27(36)31-17-15-30(16-18-31)21-12-10-20(11-13-21)19-23(26(34)35)29-25(33)24-9-6-14-32(24)39(37,38)22-7-4-3-5-8-22/h3-5,7-8,10-13,23-24H,2,6,9,14-19H2,1H3,(H,28,36)(H,29,33)(H,34,35)/t23-,24-/m0/s1
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| InChIKey |
FKXHSLYDCOCXSG-ZEQRLZLVSA-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