General Information of the Compound
| Compound ID |
CP0553419
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-4-methylquinazolin-2-amine
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| Structure |
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| Formula |
C17H15N3O2
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| Molecular Weight |
293.326
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| Canonical SMILES |
Cc1nc(NCc2ccc3OCOc3c2)nc2ccccc12
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| InChI |
InChI=1S/C17H15N3O2/c1-11-13-4-2-3-5-14(13)20-17(19-11)18-9-12-6-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3,(H,18,19,20)
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| InChIKey |
IXCKTAULWPGBNJ-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: PT02212, Signal transducer and activator of transcription 1-alpha/beta
Protein ID: PT01503, Signal transducer and activator of transcription 3