General Information of the Compound
| Compound ID |
CP0550120
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| Compound Name |
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyridin-4-yl-1H-indazol-5-amine
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| Structure |
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| Formula |
C21H18N4O
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| Molecular Weight |
342.402
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| Canonical SMILES |
C1CC(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c2ccccc2O1
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| InChI |
InChI=1S/C21H18N4O/c1-2-4-20-16(3-1)18(9-12-26-20)23-15-5-6-19-17(13-15)21(25-24-19)14-7-10-22-11-8-14/h1-8,10-11,13,18,23H,9,12H2,(H,24,25)
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| InChIKey |
PHNIGFKEVUZXAI-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