General Information of the Compound
| Compound ID |
CP0541463
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| Compound Name |
[2-ethoxy-4-[(6S)-3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] propanoate
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| Structure |
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| Formula |
C25H26N4O5S
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| Molecular Weight |
494.573
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| Canonical SMILES |
CCOc1cc(ccc1OC(=O)CC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC
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| InChI |
InChI=1S/C25H26N4O5S/c1-5-20(30)29-17-11-9-8-10-16(17)22-23(26-25(35-4)28-27-22)34-24(29)15-12-13-18(33-21(31)6-2)19(14-15)32-7-3/h8-14,24H,5-7H2,1-4H3/t24-/m0/s1
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| InChIKey |
YRJXECMRTDZPGB-DEOSSOPVSA-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