General Information of the Compound
| Compound ID |
CP0849526
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| Compound Name |
(5R)-N5-(5-Methyl-pyridin-2-yl)-(6R)-N6-(3-amino-3-oxopropyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H24N4O3
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| Molecular Weight |
368.437
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| Canonical SMILES |
Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCC(N)=O)[C@H]3C=C[C@@H]2C32CC2)nc1
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| InChI |
InChI=1S/C20H24N4O3/c1-11-2-5-15(23-10-11)24-19(27)17-13-4-3-12(20(13)7-8-20)16(17)18(26)22-9-6-14(21)25/h2-5,10,12-13,16-17H,6-9H2,1H3,(H2,21,25)(H,22,26)(H,23,24,27)/t12-,13+,16-,17-/m1/s1
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| InChIKey |
AXAUYLIQBGTNNJ-DLTLXFJOSA-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