General Information of the Compound
| Compound ID |
CP0387521
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| Compound Name |
6-[6-[2-(dimethylamino)ethylamino]pyridin-3-yl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C25H33N7O2
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| Molecular Weight |
463.586
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| Canonical SMILES |
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1
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| InChI |
InChI=1S/C25H33N7O2/c1-16(17-8-12-34-13-9-17)29-23-20-14-18(4-6-21(20)30-31-24(23)25(26)33)19-5-7-22(28-15-19)27-10-11-32(2)3/h4-7,14-17H,8-13H2,1-3H3,(H2,26,33)(H,27,28)(H,29,30)/t16-/m0/s1
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| InChIKey |
KICFVUSPTNQZHL-INIZCTEOSA-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