General Information of the Compound
| Compound ID |
CP0522898
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| Compound Name |
8-fluoro-3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
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| Structure |
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| Formula |
C30H31FN6O2
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| Molecular Weight |
526.616
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)c2ccccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C30H31FN6O2/c1-19-13-20(15-23-17-33-35-28(19)23)14-22(26-7-2-3-10-32-26)16-27(38)36-11-8-24(9-12-36)37-18-21-5-4-6-25(31)29(21)34-30(37)39/h2-7,10,13,15,17,22,24H,8-9,11-12,14,16,18H2,1H3,(H,33,35)(H,34,39)
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| InChIKey |
SGXAQLSYIHWZKV-UHFFFAOYSA-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