General Information of the Compound
| Compound ID |
CP0571205
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| Compound Name |
ethyl (3R,3aS,4S,5R,6R,6aS,9aR)-4-[(E)-2-[5-(2-cyanophenyl)pyridin-2-yl]ethenyl]-3,5,6-trimethyl-1-oxo-3,3a,4,5,6,6a,7,9-octahydrofuro[3,4-d]isoindole-8-carboxylate
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| Structure |
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| Formula |
C30H33N3O4
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| Molecular Weight |
499.611
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| Canonical SMILES |
CCOC(=O)N1C[C@H]2[C@H](C)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]3[C@@H](C)OC(=O)[C@]23C1
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| InChI |
InChI=1S/C30H33N3O4/c1-5-36-29(35)33-16-26-19(3)18(2)24(27-20(4)37-28(34)30(26,27)17-33)13-12-23-11-10-22(15-32-23)25-9-7-6-8-21(25)14-31/h6-13,15,18-20,24,26-27H,5,16-17H2,1-4H3/b13-12+/t18-,19-,20-,24+,26+,27+,30-/m1/s1
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| InChIKey |
BAFRFQOCCOJJAY-IDKUMADTSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01871, Proteinase-activated receptor 1