General Information of the Compound
| Compound ID |
CP0903240
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| Compound Name |
(5R*)-N5-(2-(Cyclohexen-1-yl)ethyl)-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H41N3O2
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| Molecular Weight |
439.644
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCC2=CCCCC2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H41N3O2/c31-25(28-15-4-5-17-30-18-6-7-19-30)23-21-10-11-22(27(21)13-14-27)24(23)26(32)29-16-12-20-8-2-1-3-9-20/h8,10-11,21-24H,1-7,9,12-19H2,(H,28,31)(H,29,32)/t21-,22+,23-,24-/m1/s1
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| InChIKey |
ZNATWVHYNKKTPG-UEQSERJNSA-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