General Information of the Compound
| Compound ID |
CP0858047
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(4-(3,3-difluoropyrrolidin-1-yl)butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide, formate salt
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| Structure |
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| Formula |
C26H32BrF2N3O4
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| Molecular Weight |
568.459
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| Canonical SMILES |
O=C(NCCCCN1CCC(F)(F)C1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
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| InChI |
InChI=1S/C25H30BrF2N3O2.CH2O2/c26-16-3-5-17(6-4-16)30-23(33)21-19-8-7-18(24(19)9-10-24)20(21)22(32)29-12-1-2-13-31-14-11-25(27,28)15-31;2-1-3/h3-8,18-21H,1-2,9-15H2,(H,29,32)(H,30,33);1H,(H,2,3)/t18-,19+,20-,21-;/m1./s1
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| InChIKey |
ZBMQHJFMWJDKEI-YMFSJSFGSA-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