General Information of the Compound
| Compound ID |
CP0868772
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| Compound Name |
(5R)-N5-(2-(4-Chlorophenyl)ethyl)-(6R)-N6-(2-(4-aminosulfonyl-phenyl)-ethyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H30ClN3O4S
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| Molecular Weight |
528.074
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]3C=C[C@H]2C32CC2)cc1
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| InChI |
InChI=1S/C27H30ClN3O4S/c28-19-5-1-17(2-6-19)11-15-30-25(32)23-21-9-10-22(27(21)13-14-27)24(23)26(33)31-16-12-18-3-7-20(8-4-18)36(29,34)35/h1-10,21-24H,11-16H2,(H,30,32)(H,31,33)(H2,29,34,35)/t21-,22+,23+,24+/m0/s1
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| InChIKey |
MHWQVXQFGXHTLU-OLKYXYMISA-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
Protein ID: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2