General Information of the Compound
| Compound ID |
CP0860085
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-phenyl-2-morpholino-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C29H32BrN3O3
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| Molecular Weight |
550.497
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| Canonical SMILES |
O=C(NCC(c1ccccc1)N1CCOCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C29H32BrN3O3/c30-20-6-8-21(9-7-20)32-28(35)26-23-11-10-22(29(23)12-13-29)25(26)27(34)31-18-24(19-4-2-1-3-5-19)33-14-16-36-17-15-33/h1-11,22-26H,12-18H2,(H,31,34)(H,32,35)/t22-,23+,24?,25-,26-/m1/s1
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| InChIKey |
MNUMGQYFYORVLC-UXYYBULGSA-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