General Information of the Compound
| Compound ID |
CP0935545
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(4-(2-(methoxymethyl)pyrrolidin-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 |
C28H38BrN3O5
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| Molecular Weight |
576.532
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| Canonical SMILES |
COCC1CCCN1CCCCNC(=O)[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/C27H36BrN3O3.CH2O2/c1-34-17-20-5-4-16-31(20)15-3-2-14-29-25(32)23-21-10-11-22(27(21)12-13-27)24(23)26(33)30-19-8-6-18(28)7-9-19;2-1-3/h6-11,20-24H,2-5,12-17H2,1H3,(H,29,32)(H,30,33);1H,(H,2,3)/t20?,21-,22+,23-,24-;/m1./s1
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| InChIKey |
NOWFWKGGBOOFSE-YUDNBZNNSA-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