General Information of the Compound
| Compound ID |
CP0870029
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(1S)-1-carbamoyl-ethyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H22BrN3O3
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| Molecular Weight |
432.318
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| Canonical SMILES |
C[C@H](NC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O
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| InChI |
InChI=1S/C20H22BrN3O3/c1-10(17(22)25)23-18(26)15-13-6-7-14(20(13)8-9-20)16(15)19(27)24-12-4-2-11(21)3-5-12/h2-7,10,13-16H,8-9H2,1H3,(H2,22,25)(H,23,26)(H,24,27)/t10-,13+,14-,15+,16+/m0/s1
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| InChIKey |
KUWRROVJPNSMMO-YRSMIWHRSA-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