General Information of the Compound
| Compound ID |
CP0483642
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| Compound Name |
N',N'-diethyl-N-(2-methyl-6,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-7-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C22H27N5
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| Molecular Weight |
361.493
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| Canonical SMILES |
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12
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| InChI |
InChI=1S/C22H27N5/c1-4-27(5-2)13-7-11-23-21-19-14-18-17-8-6-10-24-22(17)26-20(18)15(3)16(19)9-12-25-21/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26)
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| InChIKey |
QGAMUVOPYWEQSU-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