General Information of the Compound
| Compound ID |
CP0118955
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| Compound Name |
5-amino-N-[1-(3,4-difluorophenyl)azetidin-3-yl]-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 |
C20H18F2N6OS
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| Molecular Weight |
428.468
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| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C20H18F2N6OS/c1-9-5-15-24-10(2)26-28(15)20-16(9)17(23)18(30-20)19(29)25-11-7-27(8-11)12-3-4-13(21)14(22)6-12/h3-6,11H,7-8,23H2,1-2H3,(H,25,29)
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| InChIKey |
AGTDFHKXZUTBAZ-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