General Information of the Compound
| Compound ID |
CP0545150
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| Compound Name |
6-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C26H32N8O2
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| Molecular Weight |
488.596
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| Canonical SMILES |
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1nn(C)cc1C
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| InChI |
InChI=1S/C26H32N8O2/c1-16-15-34(5)32-23(16)17(2)29-24-20-13-18(7-9-21(20)30-31-25(24)26(27)35)19-8-10-22(28-14-19)36-12-6-11-33(3)4/h7-10,13-15,17H,6,11-12H2,1-5H3,(H2,27,35)(H,29,30)/t17-/m0/s1
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| InChIKey |
CFNSOLJHFSOKTJ-KRWDZBQOSA-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