General Information of the Compound
| Compound ID |
CP0542830
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| Compound Name |
CHEMBL4176135
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| Formula |
C22H21FN4O3
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| Molecular Weight |
408.433
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| Canonical SMILES |
COCc1ccc(cn1)-c1cc2c3n([C@@H]4C[C@H](O)C4)c(=O)n(C)c3cnc2cc1F
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| InChI |
InChI=1S/C22H21FN4O3/c1-26-20-10-25-19-8-18(23)16(12-3-4-13(11-30-2)24-9-12)7-17(19)21(20)27(22(26)29)14-5-15(28)6-14/h3-4,7-10,14-15,28H,5-6,11H2,1-2H3/t14-,15+
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| InChIKey |
KQVBMIJXOAYEIU-GASCZTMLSA-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