General Information of the Compound
| Compound ID |
CP0456092
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| Compound Name |
6-[6-(methoxymethyl)pyridin-3-yl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1
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| InChI |
InChI=1S/C23H27N5O3/c1-14(15-7-9-31-10-8-15)26-21-19-11-16(17-3-5-18(13-30-2)25-12-17)4-6-20(19)27-28-22(21)23(24)29/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,24,29)(H,26,27)/t14-/m0/s1
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| InChIKey |
PSRIRACJOYLJGU-AWEZNQCLSA-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