General Information of the Compound
| Compound ID |
CP0456093
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| Compound Name |
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(methoxymethyl)pyridin-3-yl]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3nn(C)cc3C)c2c1
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| InChI |
InChI=1S/C23H25N7O2/c1-13-11-30(3)29-20(13)14(2)26-21-18-9-15(16-5-7-17(12-32-4)25-10-16)6-8-19(18)27-28-22(21)23(24)31/h5-11,14H,12H2,1-4H3,(H2,24,31)(H,26,27)/t14-/m0/s1
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| InChIKey |
XSVCEXJOBQYTNH-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