General Information of the Compound
| Compound ID |
CP0572970
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| Compound Name |
4-amino-N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]cyclohexane-1-carboxamide
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| Formula |
C19H23FN6O2S
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| Molecular Weight |
418.498
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| Canonical SMILES |
NC1CCC(CC1)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C19H23FN6O2S/c20-12-4-7-15-14(10-12)17(28)25(18-23-24-19(29)26(15)18)9-1-8-22-16(27)11-2-5-13(21)6-3-11/h4,7,10-11,13H,1-3,5-6,8-9,21H2,(H,22,27)(H,24,29)
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| InChIKey |
XBMOWNBEYVKSPR-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