General Information of the Compound
| Compound ID |
CP0867755
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-(N-tert-butoxycarbonyl-piperidin-3-yl)-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C29H38BrN3O4
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| Molecular Weight |
572.544
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCCC(CCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)C1
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| InChI |
InChI=1S/C29H38BrN3O4/c1-28(2,3)37-27(36)33-16-4-5-18(17-33)12-15-31-25(34)23-21-10-11-22(29(21)13-14-29)24(23)26(35)32-20-8-6-19(30)7-9-20/h6-11,18,21-24H,4-5,12-17H2,1-3H3,(H,31,34)(H,32,35)/t18?,21-,22+,23-,24-/m1/s1
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| InChIKey |
WAHBMZWURNRRBS-PQMZZMCRSA-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