General Information of the Compound
| Compound ID |
CP0902853
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| Compound Name |
tert-Butyl (S)-4-((tert-butoxycarbonyl)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-oxopentanoate
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| Formula |
C26H35FN6O6S
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| Molecular Weight |
578.667
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| Canonical SMILES |
CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C26H35FN6O6S/c1-25(2,3)38-19(34)11-9-17(29-24(37)39-26(4,5)6)20(35)28-12-7-13-32-21(36)16-14-15(27)8-10-18(16)33-22(32)30-31-23(33)40/h8,10,14,17H,7,9,11-13H2,1-6H3,(H,28,35)(H,29,37)(H,31,40)/t17-/m0/s1
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| InChIKey |
JCNIXRCQAYEKLX-KRWDZBQOSA-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