General Information of the Compound
| Compound ID |
CP0940780
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| Compound Name |
(5R*)-N5-(2-Trifluoromethyl-pyridin-5-yl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide hydrochloride
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| Structure |
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| Formula |
C25H32ClF3N4O2
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| Molecular Weight |
513.004
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C25H31F3N4O2.ClH/c26-25(27,28)19-8-5-16(15-30-19)31-23(34)21-18-7-6-17(24(18)9-10-24)20(21)22(33)29-11-1-2-12-32-13-3-4-14-32;/h5-8,15,17-18,20-21H,1-4,9-14H2,(H,29,33)(H,31,34);1H/t17-,18+,20-,21-;/m1./s1
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| InChIKey |
OLWXBYQKFKLRMR-MPKKIQEPSA-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