General Information of the Compound
| Compound ID |
CP0578983
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| Compound Name |
(3R,3aS,4S,5R,6R,6aS,9aR)-4-[(E)-2-[5-(2-cyanophenyl)pyridin-2-yl]ethenyl]-N,3,5,6-tetramethyl-1-oxo-3,3a,4,5,6,6a,7,9-octahydrofuro[3,4-d]isoindole-8-carboxamide
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| Structure |
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| Formula |
C29H32N4O3
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| Molecular Weight |
484.6
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| Canonical SMILES |
CNC(=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/C29H32N4O3/c1-17-18(2)25-15-33(28(35)31-4)16-29(25)26(19(3)36-27(29)34)23(17)12-11-22-10-9-21(14-32-22)24-8-6-5-7-20(24)13-30/h5-12,14,17-19,23,25-26H,15-16H2,1-4H3,(H,31,35)/b12-11+/t17-,18-,19-,23+,25+,26+,29-/m1/s1
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| InChIKey |
KCVUIRWXVLSUPE-SXBLFBATSA-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