General Information of the Compound
| Compound ID |
CP0864635
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(hexyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C23H29BrN2O2
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| Molecular Weight |
445.401
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| Canonical SMILES |
CCCCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C23H29BrN2O2/c1-2-3-4-5-14-25-21(27)19-17-10-11-18(23(17)12-13-23)20(19)22(28)26-16-8-6-15(24)7-9-16/h6-11,17-20H,2-5,12-14H2,1H3,(H,25,27)(H,26,28)/t17-,18+,19-,20-/m1/s1
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| InChIKey |
KHAQGDNHBDXCFA-IYWMVGAKSA-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