General Information of the Compound
| Compound ID |
CP0509159
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| Compound Name |
(1R)-8-(3,4-dimethoxyphenyl)-9-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
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| InChI |
InChI=1S/C26H32N4O4/c1-15-13-29(3)9-8-18(15)20-11-21-23(34-14-25-27-28-26(31)16(2)30(21)25)12-19(20)17-6-7-22(32-4)24(10-17)33-5/h6-7,10-12,15-16,18H,8-9,13-14H2,1-5H3,(H,28,31)/t15-,16+,18+/m0/s1
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| InChIKey |
CLISQDQPIBHPHU-LZLYRXPVSA-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