General Information of the Compound
| Compound ID |
CP0414687
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| Compound Name |
(1R)-8-(2-fluorophenyl)-1-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-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 |
C22H23FN4O2
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| Molecular Weight |
394.45
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| Canonical SMILES |
C[C@H]1N2C(COc3cc(c(cc23)[C@H]2CCN(C)C2)-c2ccccc2F)=NNC1=O
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| InChI |
InChI=1S/C22H23FN4O2/c1-13-22(28)25-24-21-12-29-20-10-17(15-5-3-4-6-18(15)23)16(9-19(20)27(13)21)14-7-8-26(2)11-14/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,28)/t13-,14+/m1/s1
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| InChIKey |
RVEGZHVWGSUYNT-KGLIPLIRSA-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