General Information of the Compound
| Compound ID |
CP0548185
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| Compound Name |
CHEMBL4171626
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| Formula |
C26H29FN6O3
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| Molecular Weight |
492.555
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)C(=O)NCCN(C)C)n(C)c1=O
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| InChI |
InChI=1S/C26H29FN6O3/c1-31(2)8-7-28-25(34)21-6-5-15(13-29-21)18-11-19-22(12-20(18)27)30-14-23-24(19)33(26(35)32(23)3)16-9-17(10-16)36-4/h5-6,11-14,16-17H,7-10H2,1-4H3,(H,28,34)/t16-,17+
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| InChIKey |
OSFVJYPOVYNKEO-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