General Information of the Compound
| Compound ID |
CP0498346
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| Compound Name |
4-(1-Benzyl-1H-indol-3-yl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile
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| Structure |
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| Formula |
C26H24N4
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| Molecular Weight |
392.506
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| Canonical SMILES |
N#Cc1ccc(nc1)N1CCC(CC1)c1cn(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H24N4/c27-16-21-10-11-26(28-17-21)29-14-12-22(13-15-29)24-19-30(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-11,17,19,22H,12-15,18H2
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| InChIKey |
UHDWNJLWTHGBCP-UHFFFAOYSA-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: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened