General Information of the Compound
| Compound ID |
CP0474046
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| Compound Name |
6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]nicotinonitrile
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| Structure |
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| Formula |
C26H24N6
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| Molecular Weight |
420.52
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| Canonical SMILES |
N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2
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| InChIKey |
QGEYSRVCRYCOOT-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