General Information of the Compound
| Compound ID |
CP0180778
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| Compound Name |
6-[2-fluoro-6-(methoxymethyl)pyridin-3-yl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]quinoline-3-carboxamide
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| Structure |
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| Formula |
C23H23FN6O2
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| Molecular Weight |
434.475
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| Canonical SMILES |
COCc1ccc(c(F)n1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1
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| InChI |
InChI=1S/C23H23FN6O2/c1-13(19-8-9-30(2)29-19)27-21-17-10-14(4-7-20(17)26-11-18(21)23(25)31)16-6-5-15(12-32-3)28-22(16)24/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,26,27)/t13-/m0/s1
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| InChIKey |
BNPUWPZHENSNKH-ZDUSSCGKSA-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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR