General Information of the Compound
| Compound ID |
CP0232291
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| Compound Name |
CHEMBL4172761
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| Formula |
C23H23FN4O4S
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| Molecular Weight |
470.526
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(CS(C)(=O)=O)nc2)n(C)c1=O
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| InChI |
InChI=1S/C23H23FN4O4S/c1-27-21-11-26-20-9-19(24)17(13-4-5-14(25-10-13)12-33(3,30)31)8-18(20)22(21)28(23(27)29)15-6-16(7-15)32-2/h4-5,8-11,15-16H,6-7,12H2,1-3H3/t15-,16+
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| InChIKey |
CEZNSWIMSSFNJX-IYBDPMFKSA-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