General Information of the Compound
| Compound ID |
CP0911105
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| Compound Name |
5-(piperazin-1-yl)-7-p-tolyl-2,3-dihydro-1H-1,4-diazepine
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| Structure |
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| Formula |
C16H22N4
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| Molecular Weight |
270.38
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| Canonical SMILES |
Cc1ccc(C2=CC(N3CCNCC3)=NCCN2)cc1
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| InChI |
InChI=1S/C16H22N4/c1-13-2-4-14(5-3-13)15-12-16(19-7-6-18-15)20-10-8-17-9-11-20/h2-5,12,17-18H,6-11H2,1H3
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| InChIKey |
QOPHIHKLLMGENT-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