General Information of the Compound
| Compound ID |
CP0952732
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| Compound Name |
(5R)-N5-(4-Methoxyphenyl)-(6R)-N6-(3-amino-3-oxopropyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
COc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCC(N)=O)[C@H]3CC[C@@H]2C32CC2)cc1
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| InChI |
InChI=1S/C21H27N3O4/c1-28-13-4-2-12(3-5-13)24-20(27)18-15-7-6-14(21(15)9-10-21)17(18)19(26)23-11-8-16(22)25/h2-5,14-15,17-18H,6-11H2,1H3,(H2,22,25)(H,23,26)(H,24,27)/t14-,15+,17-,18-/m1/s1
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| InChIKey |
DXMZETZDBMVXMH-CYGHRXIMSA-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