General Information of the Compound
| Compound ID |
CP0967222
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| Compound Name |
(S)-4-Amino-5-((3-(7-fluoro-5-oxo-1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propyl)-amino)-5-oxopentanoic Acid
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| Formula |
C17H19FN6O4S
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| Molecular Weight |
422.442
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| Canonical SMILES |
N[C@@H](CCC(=O)O)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C17H19FN6O4S/c18-9-2-4-12-10(8-9)15(28)23(16-21-22-17(29)24(12)16)7-1-6-20-14(27)11(19)3-5-13(25)26/h2,4,8,11H,1,3,5-7,19H2,(H,20,27)(H,22,29)(H,25,26)/t11-/m0/s1
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| InChIKey |
KRAQOSRIIQFGRU-NSHDSACASA-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