General Information of the Compound
| Compound ID |
CP0850497
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| Compound Name |
(5R*)-N5-(4-Bromophenyl-methyl)-(6R*)-N6-(piperidin-4-yl-methyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H30BrN3O2
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| Molecular Weight |
472.427
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| Canonical SMILES |
O=C(NCC1CCNCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C24H30BrN3O2/c25-17-3-1-15(2-4-17)13-27-22(29)20-18-5-6-19(24(18)9-10-24)21(20)23(30)28-14-16-7-11-26-12-8-16/h1-6,16,18-21,26H,7-14H2,(H,27,29)(H,28,30)/t18-,19+,20+,21+/m0/s1
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| InChIKey |
CCQQFIYVDFKLBI-DOIPELPJSA-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