General Information of the Compound
| Compound ID |
CP0160159
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| Compound Name |
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(oxan-4-ylmethyl)quinolin-8-amine
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCOCC3)c2n1
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| InChI |
InChI=1S/C23H25N7O2/c1-29-9-12-32-21-19(29)14-25-30-22(27-28-23(21)30)18-6-5-16-3-2-4-17(20(16)26-18)24-13-15-7-10-31-11-8-15/h2-6,14-15,24H,7-13H2,1H3
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| InChIKey |
DVANQYCQWXMWPM-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