General Information of the Compound
| Compound ID |
CP0953577
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-((3R,6S)-6-(pyrrolidin-1-ylmethyl)tetrahydro-2H-pyran-3-yl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H34BrN3O3
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| Molecular Weight |
528.491
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@H](CN2CCCC2)OC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H34BrN3O3/c28-17-3-5-18(6-4-17)29-25(32)23-21-9-10-22(27(21)11-12-27)24(23)26(33)30-19-7-8-20(34-16-19)15-31-13-1-2-14-31/h3-6,9-10,19-24H,1-2,7-8,11-16H2,(H,29,32)(H,30,33)/t19-,20+,21+,22-,23-,24-/m1/s1
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| InChIKey |
UYKKRXUJKYPTRZ-AMYLDRNJSA-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