General Information of the Compound
| Compound ID |
CP0552478
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| Compound Name |
6-[6-[2-(dimethylamino)ethoxy]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 |
C24H28N8O2
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| Molecular Weight |
460.542
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| Canonical SMILES |
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCN(C)C)nc1)C(N)=O)c1ccn(C)n1
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| InChI |
InChI=1S/C24H28N8O2/c1-15(19-9-10-32(4)30-19)27-22-18-13-16(5-7-20(18)28-29-23(22)24(25)33)17-6-8-21(26-14-17)34-12-11-31(2)3/h5-10,13-15H,11-12H2,1-4H3,(H2,25,33)(H,27,28)/t15-/m0/s1
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| InChIKey |
BVOANFWWLCFKGU-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