General Information of the Compound
| Compound ID |
CP0573004
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| Compound Name |
5-amino-7,11-dimethyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]-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 |
C19H17F3N8OS
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| Molecular Weight |
462.461
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| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N8OS/c1-8-3-12-26-9(2)28-30(12)17-13(8)14(23)15(32-17)16(31)27-11-6-29(7-11)18-24-4-10(5-25-18)19(20,21)22/h3-5,11H,6-7,23H2,1-2H3,(H,27,31)
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| InChIKey |
MWEOEIIPYCNVIG-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