General Information of the Compound
| Compound ID |
CP0846855
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| Compound Name |
N-(2-methyl-1-phenylpropan-2-yl)-7-p-tolyl-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C22H27N3
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| Molecular Weight |
333.479
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| Canonical SMILES |
Cc1ccc(C2=CC(NC(C)(C)Cc3ccccc3)=NCCN2)cc1
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| InChI |
InChI=1S/C22H27N3/c1-17-9-11-19(12-10-17)20-15-21(24-14-13-23-20)25-22(2,3)16-18-7-5-4-6-8-18/h4-12,15,23H,13-14,16H2,1-3H3,(H,24,25)
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| InChIKey |
JDVROHYUNYELGG-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