General Information of the Compound
| Compound ID |
CP0429517
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| Compound Name |
6-[6-(methoxymethyl)pyridin-3-yl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C22H23N7O2
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| Molecular Weight |
417.473
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| Canonical SMILES |
COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1
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| InChI |
InChI=1S/C22H23N7O2/c1-13(18-8-9-29(2)28-18)25-20-17-10-14(15-4-6-16(12-31-3)24-11-15)5-7-19(17)26-27-21(20)22(23)30/h4-11,13H,12H2,1-3H3,(H2,23,30)(H,25,26)/t13-/m0/s1
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| InChIKey |
FFLPHYLMSTVSOK-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