General Information of the Compound
| Compound ID |
CP0577300
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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)amino]methyl]-3-fluorophenyl]propan-2-ol
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| Structure |
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| Formula |
C21H21FN4OS
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| Molecular Weight |
396.491
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3F)C(C)(C)O)ncnc21
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| InChI |
InChI=1S/C21H21FN4OS/c1-11-7-12(2)26-20-16(11)17-18(28-20)19(25-10-24-17)23-9-13-5-6-14(8-15(13)22)21(3,4)27/h5-8,10,27H,9H2,1-4H3,(H,23,24,25)
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| InChIKey |
KRMSRDITOIJKGZ-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