General Information of the Compound
| Compound ID |
CP0904446
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| Compound Name |
(5R*)-N5-(2-Methoxycarbonyl-ethyl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C23H35N3O4
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| Molecular Weight |
417.55
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| Canonical SMILES |
COC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
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| InChI |
InChI=1S/C23H35N3O4/c1-30-18(27)8-12-25-22(29)20-17-7-6-16(23(17)9-10-23)19(20)21(28)24-11-2-3-13-26-14-4-5-15-26/h6-7,16-17,19-20H,2-5,8-15H2,1H3,(H,24,28)(H,25,29)/t16-,17+,19-,20-/m1/s1
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| InChIKey |
LTXRBAGUQVLJBQ-PIKOESSRSA-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