General Information of the Compound
| Compound ID |
CP0946859
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| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-(4-diethylamino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H36N4O3S
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| Molecular Weight |
472.655
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| Canonical SMILES |
CCN(CC)CCCCNC(=O)[C@H]1[C@H](C(=O)NCc2nc(C(C)=O)cs2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C25H36N4O3S/c1-4-29(5-2)13-7-6-12-26-23(31)21-17-8-9-18(25(17)10-11-25)22(21)24(32)27-14-20-28-19(15-33-20)16(3)30/h8-9,15,17-18,21-22H,4-7,10-14H2,1-3H3,(H,26,31)(H,27,32)/t17-,18+,21-,22-/m1/s1
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| InChIKey |
GMWKYAXBAJVFQT-GMQQQROESA-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