General Information of the Compound
| Compound ID |
CP0502776
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| Compound Name |
1-[(6S)-3-ethylsulfanyl-6-pyridin-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
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| Structure |
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| Formula |
C20H19N5O2S
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| Molecular Weight |
393.472
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| Canonical SMILES |
CCSc1nnc-2c(O[C@H](N(C(=O)CC)c3ccccc-23)c2ccccn2)n1
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| InChI |
InChI=1S/C20H19N5O2S/c1-3-16(26)25-15-11-6-5-9-13(15)17-18(22-20(24-23-17)28-4-2)27-19(25)14-10-7-8-12-21-14/h5-12,19H,3-4H2,1-2H3/t19-/m0/s1
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| InChIKey |
IHOCIXKYLMLOQP-IBGZPJMESA-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