General Information of the Compound
| Compound ID |
CP0421787
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| Compound Name |
2-phenyl-N-[2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
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| Structure |
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| Formula |
C28H25N3O
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| Molecular Weight |
419.528
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| Canonical SMILES |
O=C(Nc1ccc2CC(Cc2c1)NCc1ccccn1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C28H25N3O/c32-28(27-12-5-4-11-26(27)20-8-2-1-3-9-20)31-23-14-13-21-16-25(18-22(21)17-23)30-19-24-10-6-7-15-29-24/h1-15,17,25,30H,16,18-19H2,(H,31,32)
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| InChIKey |
VHIQFTOKJVJIJC-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: PT04361, Protein smoothened
Protein ID: PT02397, Protein smoothened