General Information of the Compound
| Compound ID |
CP0946603
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| Compound Name |
(5R*)-N5-(2-Bromo-thiophen-4-yl-methyl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H32BrN3O2S
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| Molecular Weight |
506.51
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2csc(Br)c2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C24H32BrN3O2S/c25-19-13-16(15-31-19)14-27-23(30)21-18-6-5-17(24(18)7-8-24)20(21)22(29)26-9-1-2-10-28-11-3-4-12-28/h5-6,13,15,17-18,20-21H,1-4,7-12,14H2,(H,26,29)(H,27,30)/t17-,18+,20-,21-/m1/s1
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| InChIKey |
DKORGRRTOLTCQX-KOUHRCEDSA-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