General Information of the Compound
| Compound ID |
CP0164862
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| Compound Name |
CHEMBL4173181
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| Formula |
C25H28FN5O3
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| Molecular Weight |
465.529
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCN(C)C)nc2)n(C)c1=O
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| InChI |
InChI=1S/C25H28FN5O3/c1-29(2)7-8-34-23-6-5-15(13-28-23)18-11-19-21(12-20(18)26)27-14-22-24(19)31(25(32)30(22)3)16-9-17(10-16)33-4/h5-6,11-14,16-17H,7-10H2,1-4H3/t16-,17+
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| InChIKey |
VURXFHQCPUMSPI-CALCHBBNSA-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