General Information of the Compound
| Compound ID |
CP0577297
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| Compound Name |
2-[4-[[(11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]methyl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C22H23N3OS
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| Molecular Weight |
377.513
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)C(C)(C)O)nccc21
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| InChI |
InChI=1S/C22H23N3OS/c1-13-11-14(2)25-21-18(13)17-9-10-23-20(19(17)27-21)24-12-15-5-7-16(8-6-15)22(3,4)26/h5-11,26H,12H2,1-4H3,(H,23,24)
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| InChIKey |
UPFRDMLRTXJSQT-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