General Information of the Compound
| Compound ID |
CP0867717
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(4-N-tert-butoxycarbonyl-aminomethyl-phenyl)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C30H34BrN3O4
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| Molecular Weight |
580.523
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| Canonical SMILES |
CC(C)(C)OC(=O)NCc1ccc(CNC(=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/C30H34BrN3O4/c1-29(2,3)38-28(37)33-17-19-6-4-18(5-7-19)16-32-26(35)24-22-12-13-23(30(22)14-15-30)25(24)27(36)34-21-10-8-20(31)9-11-21/h4-13,22-25H,14-17H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,24-,25-/m1/s1
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| InChIKey |
GUXBHBZVWPPQHF-ZFFYZDHPSA-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