General Information of the Compound
| Compound ID |
CP0480990
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| Compound Name |
(2E)-2-[(1R,2R,3aS,7aS)-2-[(3R)-3-aminopiperidin-1-yl]-1-(4-cyanophenoxy)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C26H36N4O2
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| Molecular Weight |
436.6
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| Canonical SMILES |
CN(C)C(=O)\C=C1/CC[C@@]2(C)[C@H](C[C@H]([C@@H]2Oc2ccc(cc2)C#N)N2CCC[C@@H](N)C2)C1
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| InChI |
InChI=1S/C26H36N4O2/c1-26-11-10-19(14-24(31)29(2)3)13-20(26)15-23(30-12-4-5-21(28)17-30)25(26)32-22-8-6-18(16-27)7-9-22/h6-9,14,20-21,23,25H,4-5,10-13,15,17,28H2,1-3H3/b19-14+/t20-,21+,23+,25-,26-/m0/s1
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| InChIKey |
SGBPAAQZMAQDKI-GOKWSCARSA-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: PT04958, Short transient receptor potential channel 6
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha