General Information of the Compound
| Compound ID |
CP0877473
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| Compound Name |
SID74374076
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| Structure |
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| Formula |
C20H16F3N5O4
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| Molecular Weight |
447.373
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| Canonical SMILES |
CC(=O)Nc1cccc(-c2cnc(N)c(C(=O)c3cccnc3)n2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H15N5O2.C2HF3O2/c1-11(24)22-14-6-2-4-12(8-14)15-10-21-18(19)16(23-15)17(25)13-5-3-7-20-9-13;3-2(4,5)1(6)7/h2-10H,1H3,(H2,19,21)(H,22,24);(H,6,7)
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| InChIKey |
CSBILHDLVVDHKL-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