General Information of the Compound
| Compound ID |
CP0533100
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| Compound Name |
(1R)-9-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-8-(3-methoxyphenyl)-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 |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
COc1cccc(c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
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| InChI |
InChI=1S/C25H30N4O3/c1-15-13-28(3)9-8-19(15)21-11-22-23(12-20(21)17-6-5-7-18(10-17)31-4)32-14-24-26-27-25(30)16(2)29(22)24/h5-7,10-12,15-16,19H,8-9,13-14H2,1-4H3,(H,27,30)/t15-,16+,19+/m0/s1
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| InChIKey |
NLMYDYRWFYMSLD-FRQCXROJSA-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