General Information of the Compound
| Compound ID |
CP0951280
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(4-(pyrrolidin-1-yl)pentyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide, formate salt
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| Structure |
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| Formula |
C27H36BrN3O4
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| Molecular Weight |
546.506
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| Canonical SMILES |
CC(CCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)N1CCCC1.O=CO
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| InChI |
InChI=1S/C26H34BrN3O2.CH2O2/c1-17(30-15-2-3-16-30)5-4-14-28-24(31)22-20-10-11-21(26(20)12-13-26)23(22)25(32)29-19-8-6-18(27)7-9-19;2-1-3/h6-11,17,20-23H,2-5,12-16H2,1H3,(H,28,31)(H,29,32);1H,(H,2,3)/t17?,20-,21+,22-,23-;/m1./s1
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| InChIKey |
WWYVQWCUXUUHAE-VWZAAADFSA-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