General Information of the Compound
| Compound ID |
CP0904289
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| Compound Name |
(5R)-N5-(2-Bromo-3-fluoro-pyridin-5-yl)-(6R)-N6-(4-pyrrolidino-butyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H34BrFN4O4
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| Molecular Weight |
553.473
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2cnc(Br)c(F)c2)[C@@H]2CC[C@H]1C21CC1.O=CO
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| InChI |
InChI=1S/C24H32BrFN4O2.CH2O2/c25-21-18(26)13-15(14-28-21)29-23(32)20-17-6-5-16(24(17)7-8-24)19(20)22(31)27-9-1-2-10-30-11-3-4-12-30;2-1-3/h13-14,16-17,19-20H,1-12H2,(H,27,31)(H,29,32);1H,(H,2,3)/t16-,17+,19-,20-;/m1./s1
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| InChIKey |
OYIXMGYOBUUTRO-FSGHUTCMSA-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