General Information of the Compound
| Compound ID |
CP0438314
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| Compound Name |
CHEMBL4161022
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| Formula |
C27H31FN6O3
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| Molecular Weight |
506.582
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(NC(=O)CCCN(C)C)nc2)n(C)c1=O
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| InChI |
InChI=1S/C27H31FN6O3/c1-32(2)9-5-6-25(35)31-24-8-7-16(14-30-24)19-12-20-22(13-21(19)28)29-15-23-26(20)34(27(36)33(23)3)17-10-18(11-17)37-4/h7-8,12-15,17-18H,5-6,9-11H2,1-4H3,(H,30,31,35)/t17-,18+
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| InChIKey |
WYMFQMUBKZKGGQ-HDICACEKSA-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