General Information of the Compound
| Compound ID |
CP0414761
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| Compound Name |
N-[1-[1-[(3-fluorophenyl)methyl]-5-methylimidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H37FN8O2
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| Molecular Weight |
620.733
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| Canonical SMILES |
Cc1cnc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)n1Cc1cccc(F)c1
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| InChI |
InChI=1S/C35H37FN8O2/c1-22-14-25(15-27-19-38-41-32(22)27)17-31(33-37-18-23(2)43(33)20-24-6-5-8-28(36)16-24)40-34(45)42-12-10-29(11-13-42)44-21-26-7-3-4-9-30(26)39-35(44)46/h3-9,14-16,18-19,29,31H,10-13,17,20-21H2,1-2H3,(H,38,41)(H,39,46)(H,40,45)
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| InChIKey |
PLSBQWLBNQMVNQ-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