General Information of the Compound
| Compound ID |
CP0904366
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| Compound Name |
(5R)-N5-(2-(4-Chlorophenyl)ethyl)-(6R)-N6-(2-(pyridin-2-yl)ethyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H28ClN3O2
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| Molecular Weight |
449.982
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| Canonical SMILES |
O=C(NCCc1ccccn1)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C26H28ClN3O2/c27-18-6-4-17(5-7-18)10-15-29-24(31)22-20-8-9-21(26(20)12-13-26)23(22)25(32)30-16-11-19-3-1-2-14-28-19/h1-9,14,20-23H,10-13,15-16H2,(H,29,31)(H,30,32)/t20-,21+,22+,23+/m0/s1
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| InChIKey |
YTMLPIOLPSVXOM-WBADGQHESA-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