General Information of the Compound
| Compound ID |
CP0699448
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| Compound Name |
N-(3-methylpentan-3-yl)-7-p-tolyl-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C18H27N3
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| Molecular Weight |
285.435
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| Canonical SMILES |
CCC(C)(CC)NC1=NCCNC(c2ccc(C)cc2)=C1
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| InChI |
InChI=1S/C18H27N3/c1-5-18(4,6-2)21-17-13-16(19-11-12-20-17)15-9-7-14(3)8-10-15/h7-10,13,19H,5-6,11-12H2,1-4H3,(H,20,21)
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| InChIKey |
MOOPWFMRJQZSIJ-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