General Information of the Compound
| Compound ID |
CP0850627
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| Compound Name |
(5R*)-N5-[(4-Methyl-1,2,5-oxadiazol-3-yl)methyl]-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C23H33N5O3
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| Molecular Weight |
427.549
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| Canonical SMILES |
Cc1nonc1CNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
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| InChI |
InChI=1S/C23H33N5O3/c1-15-18(27-31-26-15)14-25-22(30)20-17-7-6-16(23(17)8-9-23)19(20)21(29)24-10-2-3-11-28-12-4-5-13-28/h6-7,16-17,19-20H,2-5,8-14H2,1H3,(H,24,29)(H,25,30)/t16-,17+,19-,20-/m1/s1
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| InChIKey |
RLXHBQPRRSGQJE-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