General Information of the Compound
| Compound ID |
CP0551230
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| Compound Name |
N-benzyl-8,9-dimethoxy-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine
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| Structure |
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| Formula |
C20H21N5O2
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| Molecular Weight |
363.421
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| Canonical SMILES |
COc1cc2CNc3c(NCc4ccccc4)ncnc3Nc2cc1OC
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| InChI |
InChI=1S/C20H21N5O2/c1-26-16-8-14-11-21-18-19(22-10-13-6-4-3-5-7-13)23-12-24-20(18)25-15(14)9-17(16)27-2/h3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24,25)
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| InChIKey |
SLYLBACSXAVTAA-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