General Information of the Compound
| Compound ID |
CP0866094
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(cis-4-(aminomethyl)-cyclohexyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Formula |
C24H30BrN3O2
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| Molecular Weight |
472.427
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| Canonical SMILES |
NC[C@H]1CC[C@@H](NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C24H30BrN3O2/c25-15-3-7-17(8-4-15)28-23(30)21-19-10-9-18(24(19)11-12-24)20(21)22(29)27-16-5-1-14(13-26)2-6-16/h3-4,7-10,14,16,18-21H,1-2,5-6,11-13,26H2,(H,27,29)(H,28,30)/t14-,16+,18-,19+,20-,21-/m1/s1
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| InChIKey |
MYLXBPBYSLWELK-RPNQKPKCSA-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