General Information of the Compound
| Compound ID |
CP0456094
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| Compound Name |
6-[6-(methoxymethyl)pyridin-3-yl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C24H29N5O3
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| Molecular Weight |
435.528
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| Canonical SMILES |
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(COC)nc1
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| InChI |
InChI=1S/C24H29N5O3/c1-15(16-8-10-32-11-9-16)27-22-20-12-17(18-4-6-19(14-31-3)26-13-18)5-7-21(20)28-29-23(22)24(30)25-2/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,30)(H,27,28)/t15-/m0/s1
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| InChIKey |
WBVVHIRAJKMRLA-HNNXBMFYSA-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