General Information of the Compound
| Compound ID |
CP0952723
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| Compound Name |
(5R*)-N5-(2-(1H-Indol-1-yl)-ethyl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C29H38N4O2
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| Molecular Weight |
474.649
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCn2ccc3ccccc32)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C29H38N4O2/c34-27(30-14-3-4-16-32-17-5-6-18-32)25-22-9-10-23(29(22)12-13-29)26(25)28(35)31-15-20-33-19-11-21-7-1-2-8-24(21)33/h1-2,7-11,19,22-23,25-26H,3-6,12-18,20H2,(H,30,34)(H,31,35)/t22-,23+,25-,26-/m1/s1
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| InChIKey |
BTBQJDVHEWEVFA-PZXVYJQKSA-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