General Information of the Compound
| Compound ID |
CP0457491
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| Compound Name |
[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]methanol
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
OCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H25N5O/c31-18-20-10-11-24(26-17-20)29-12-14-30(15-13-29)25-22-9-5-4-8-21(22)23(27-28-25)16-19-6-2-1-3-7-19/h1-11,17,31H,12-16,18H2
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| InChIKey |
TWEPAIWYLUBDHG-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