General Information of the Compound
| Compound ID |
CP0551263
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| Compound Name |
2-[4-[(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxymethyl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C21H21N3O2S
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| Molecular Weight |
379.485
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(OCc3ccc(cc3)C(C)(C)O)ncnc21
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| InChI |
InChI=1S/C21H21N3O2S/c1-12-9-13(2)24-20-16(12)17-18(27-20)19(23-11-22-17)26-10-14-5-7-15(8-6-14)21(3,4)25/h5-9,11,25H,10H2,1-4H3
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| InChIKey |
OCNQDPBBUKRJKD-UHFFFAOYSA-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