General Information of the Compound
| Compound ID |
CP0859188
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[(2,2-dichloro-1-methyl-cyclopropylcarbonyl)-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C22H23BrCl2N2O2
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| Molecular Weight |
498.248
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| Canonical SMILES |
CC1(C(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1(Cl)Cl
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| InChI |
InChI=1S/C22H23BrCl2N2O2/c1-20(11-22(20,24)25)19(29)26-10-14-15-6-7-16(21(15)8-9-21)17(14)18(28)27-13-4-2-12(23)3-5-13/h2-7,14-17H,8-11H2,1H3,(H,26,29)(H,27,28)/t14-,15-,16+,17+,20?/m1/s1
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| InChIKey |
SVGUESWQUNJQFP-XXUDDRHISA-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