General Information of the Compound
| Compound ID |
CP0502773
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| Compound Name |
[4-[(6R)-7-acetyl-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl] acetate
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| Structure |
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| Formula |
C23H22N4O5S
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| Molecular Weight |
466.519
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| Canonical SMILES |
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2ccc(OC(C)=O)c(OC)c2)n1
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| InChI |
InChI=1S/C23H22N4O5S/c1-5-33-23-24-21-20(25-26-23)16-8-6-7-9-17(16)27(13(2)28)22(32-21)15-10-11-18(31-14(3)29)19(12-15)30-4/h6-12,22H,5H2,1-4H3/t22-/m1/s1
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| InChIKey |
JRIROVRPNSIQFE-JOCHJYFZSA-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