General Information of the Compound
| Compound ID |
CP0405912
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| Compound Name |
1-[(6S)-6-[4-(dimethylamino)phenyl]-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C23H23N5O2S
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| Molecular Weight |
433.537
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O
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| InChI |
InChI=1S/C23H23N5O2S/c1-5-14-31-23-24-21-20(25-26-23)18-8-6-7-9-19(18)28(15(2)29)22(30-21)16-10-12-17(13-11-16)27(3)4/h5-13,22H,1,14H2,2-4H3/t22-/m0/s1
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| InChIKey |
KJPHXILFCUUVRL-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