General Information of the Compound
| Compound ID |
CP0861883
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| Compound Name |
(5R*)-N5-(4-Bromophenyl-methyl)-(6R*)-N6-(4-diethylamino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H36BrN3O2
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| Molecular Weight |
502.497
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| Canonical SMILES |
CCN(CC)CCCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C26H36BrN3O2/c1-3-30(4-2)16-6-5-15-28-24(31)22-20-11-12-21(26(20)13-14-26)23(22)25(32)29-17-18-7-9-19(27)10-8-18/h7-12,20-23H,3-6,13-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,21+,22-,23-/m1/s1
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| InChIKey |
GOWPOGXTOLFNHL-KAOXLYBCSA-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