General Information of the Compound
| Compound ID |
CP0867730
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(4-aminomethyl -phenyl)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H26BrN3O2
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| Molecular Weight |
480.406
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| Canonical SMILES |
NCc1ccc(CNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)cc1
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| InChI |
InChI=1S/C25H26BrN3O2/c26-17-5-7-18(8-6-17)29-24(31)22-20-10-9-19(25(20)11-12-25)21(22)23(30)28-14-16-3-1-15(13-27)2-4-16/h1-10,19-22H,11-14,27H2,(H,28,30)(H,29,31)/t19-,20+,21-,22-/m1/s1
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| InChIKey |
LZDPCBXJHOQOBK-CIAFKFPVSA-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