General Information of the Compound
| Compound ID |
CP0502774
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| Compound Name |
1-[(6S)-6-(2-chloro-4,5-dimethoxyphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C23H23ClN4O4S
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| Molecular Weight |
486.981
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| Canonical SMILES |
CCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cc(OC)c(OC)cc2Cl)n1
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| InChI |
InChI=1S/C23H23ClN4O4S/c1-5-10-33-23-25-21-20(26-27-23)14-8-6-7-9-17(14)28(13(2)29)22(32-21)15-11-18(30-3)19(31-4)12-16(15)24/h6-9,11-12,22H,5,10H2,1-4H3/t22-/m0/s1
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| InChIKey |
KGRXBWBRGCDOKS-QFIPXVFZSA-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