General Information of the Compound
| Compound ID |
CP0861847
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[N-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-N-methyl-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C24H27BrN4O2
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| Molecular Weight |
483.41
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| Canonical SMILES |
Cc1cc(C(=O)N(C)C[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)nn1C
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| InChI |
InChI=1S/C24H27BrN4O2/c1-14-12-20(27-29(14)3)23(31)28(2)13-17-18-8-9-19(24(18)10-11-24)21(17)22(30)26-16-6-4-15(25)5-7-16/h4-9,12,17-19,21H,10-11,13H2,1-3H3,(H,26,30)/t17-,18-,19+,21+/m1/s1
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| InChIKey |
LPZZORPDSDUMNF-BNDYYXHWSA-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