General Information of the Compound
| Compound ID |
CP0537031
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| Compound Name |
5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C19H18FN5O2S
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| Molecular Weight |
399.451
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| Canonical SMILES |
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1F
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| InChI |
InChI=1S/C19H18FN5O2S/c1-9-6-14-23-10(2)24-25(14)19-15(9)16(21)17(28-19)18(26)22-8-11-4-5-13(27-3)12(20)7-11/h4-7H,8,21H2,1-3H3,(H,22,26)
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| InChIKey |
RJLCNZFAIKMUED-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