General Information of the Compound
| Compound ID |
CP0935546
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| Compound Name |
(5R)-N5-(2-(4-Chlorophenyl)ethyl)-(6R)-N6-(N-isopentyl-piperidin-4-yl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C29H40ClN3O2
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| Molecular Weight |
498.111
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| Canonical SMILES |
CC(C)CCN1CCC(NC(=O)[C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C29H40ClN3O2/c1-19(2)10-16-33-17-11-22(12-18-33)32-28(35)26-24-8-7-23(29(24)13-14-29)25(26)27(34)31-15-9-20-3-5-21(30)6-4-20/h3-8,19,22-26H,9-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24+,25+,26+/m0/s1
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| InChIKey |
UUWLNDTXRNCWBD-BKKFENPESA-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