General Information of the Compound
| Compound ID |
CP0414762
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| Compound Name |
N-[1-[1-[(4-tert-butylphenyl)methyl]imidazol-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 |
C38H44N8O2
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| Molecular Weight |
644.824
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2ccc(cc2)C(C)(C)C)cc2cn[nH]c12
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| InChI |
InChI=1S/C38H44N8O2/c1-25-19-27(20-29-22-40-43-34(25)29)21-33(35-39-15-18-45(35)23-26-9-11-30(12-10-26)38(2,3)4)42-36(47)44-16-13-31(14-17-44)46-24-28-7-5-6-8-32(28)41-37(46)48/h5-12,15,18-20,22,31,33H,13-14,16-17,21,23-24H2,1-4H3,(H,40,43)(H,41,48)(H,42,47)
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| InChIKey |
GNTCBELAKXUQFI-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