General Information of the Compound
| Compound ID |
CP0123998
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| Compound Name |
6-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C26H34N6O3
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| Molecular Weight |
478.597
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| Canonical SMILES |
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1
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| InChI |
InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1
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| InChIKey |
VCKBRXFQRMSHFD-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR
Protein ID: PT01065, Serine/threonine-protein kinase mTOR