General Information of the Compound
| Compound ID |
CP0868025
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| Compound Name |
(5R*)-N5-(1-(4-Bromophenyl)-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 |
C27H36BrN3O2
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| Molecular Weight |
514.508
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| Canonical SMILES |
CC(NC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H36BrN3O2/c1-18(19-6-8-20(28)9-7-19)30-26(33)24-22-11-10-21(27(22)12-13-27)23(24)25(32)29-14-2-3-15-31-16-4-5-17-31/h6-11,18,21-24H,2-5,12-17H2,1H3,(H,29,32)(H,30,33)/t18?,21-,22+,23-,24-/m1/s1
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| InChIKey |
UEIUIRXBMZYFBR-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