General Information of the Compound
| Compound ID |
CP0877375
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| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-(3-dimethylamino-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C22H30N4O3S
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| Molecular Weight |
430.574
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| Canonical SMILES |
CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1
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| InChI |
InChI=1S/C22H30N4O3S/c1-13(27)16-12-30-17(25-16)11-24-21(29)19-15-6-5-14(22(15)7-8-22)18(19)20(28)23-9-4-10-26(2)3/h5-6,12,14-15,18-19H,4,7-11H2,1-3H3,(H,23,28)(H,24,29)/t14-,15+,18-,19-/m1/s1
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| InChIKey |
ZMABNPBSQQZFNG-WTLGNFPFSA-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