General Information of the Compound
| Compound ID |
CP0357886
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| Compound Name |
3,3-dimethyl-16-[2-(methylamino)ethyl]-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
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| Formula |
C18H22N4O
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| Molecular Weight |
310.401
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| Canonical SMILES |
CNCCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23
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| InChI |
InChI=1S/C18H22N4O/c1-18(2)9-12-16-14(10-18)22(8-7-19-3)13-6-4-5-11(15(13)16)17(23)21-20-12/h4-6,19H,7-10H2,1-3H3,(H,21,23)
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| InChIKey |
GQUWQXVESJLVLB-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