General Information of the Compound
| Compound ID |
CP0852678
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| Compound Name |
(5R*)-N5-(4-Methyl-thiazol-2-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 |
C23H33ClN4O2S
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| Molecular Weight |
465.063
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| Canonical SMILES |
Cc1csc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1.Cl
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| InChI |
InChI=1S/C23H32N4O2S.ClH/c1-15-14-30-22(25-15)26-21(29)19-17-7-6-16(23(17)8-9-23)18(19)20(28)24-10-2-3-11-27-12-4-5-13-27;/h6-7,14,16-19H,2-5,8-13H2,1H3,(H,24,28)(H,25,26,29);1H/t16-,17+,18-,19-;/m1./s1
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| InChIKey |
CQRYUKIZGSOGDV-MPIUBBFZSA-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