General Information of the Compound
| Compound ID |
CP0529196
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| Compound Name |
ethyl 2-[2-[(6S)-3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy]acetate
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| Structure |
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| Formula |
C24H24N4O5S
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| Molecular Weight |
480.546
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| Canonical SMILES |
CCOC(=O)COc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC
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| InChI |
InChI=1S/C24H24N4O5S/c1-4-19(29)28-17-12-8-6-10-15(17)21-22(25-24(34-3)27-26-21)33-23(28)16-11-7-9-13-18(16)32-14-20(30)31-5-2/h6-13,23H,4-5,14H2,1-3H3/t23-/m0/s1
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| InChIKey |
LDKCTMITVHIZKN-QHCPKHFHSA-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