General Information of the Compound
| Compound ID |
CP0962422
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| Compound Name |
(S)-22-Amino-1-(7-fluoro-5-oxo-1-thioxo-1,2-dihydro-[1,2,4]-triazolo[4,3-a]quinazolin-4(5H)-yl)-5,21-dioxo-8,11,14,17-tetraoxa-4,20-diazapentacosan-25-oic Acid
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| Formula |
C28H40FN7O9S
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| Molecular Weight |
669.733
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| Canonical SMILES |
N[C@@H](CCC(=O)O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C28H40FN7O9S/c29-19-2-4-22-20(18-19)26(41)35(27-33-34-28(46)36(22)27)9-1-7-31-23(37)6-10-42-12-14-44-16-17-45-15-13-43-11-8-32-25(40)21(30)3-5-24(38)39/h2,4,18,21H,1,3,5-17,30H2,(H,31,37)(H,32,40)(H,34,46)(H,38,39)/t21-/m0/s1
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| InChIKey |
VUBKAGZOUACCSE-NRFANRHFSA-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