General Information of the Compound
| Compound ID |
CP0456091
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| Compound Name |
4-[[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)pyridin-3-yl]cinnoline-3-carboxamide
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| Structure |
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| Formula |
C28H36N6O3
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| Molecular Weight |
504.635
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| Canonical SMILES |
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)C1CCOCC1
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| InChI |
InChI=1S/C28H36N6O3/c1-19(20-9-15-36-16-10-20)31-26-23-17-21(5-7-24(23)32-33-27(26)28(29)35)22-6-8-25(30-18-22)37-14-4-13-34-11-2-3-12-34/h5-8,17-20H,2-4,9-16H2,1H3,(H2,29,35)(H,31,32)/t19-/m0/s1
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| InChIKey |
NYWJSGGRPKNQPE-IBGZPJMESA-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