General Information of the Compound
| Compound ID |
CP0538969
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| Compound Name |
N-[1-[1-[(2-chloro-6-methylpyridin-4-yl)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 |
C34H36ClN9O2
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| Molecular Weight |
638.176
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| Canonical SMILES |
Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)cc(Cl)n1
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| InChI |
InChI=1S/C34H36ClN9O2/c1-21-13-23(15-26-18-37-41-31(21)26)16-29(32-36-9-12-43(32)19-24-14-22(2)38-30(35)17-24)40-33(45)42-10-7-27(8-11-42)44-20-25-5-3-4-6-28(25)39-34(44)46/h3-6,9,12-15,17-18,27,29H,7-8,10-11,16,19-20H2,1-2H3,(H,37,41)(H,39,46)(H,40,45)
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| InChIKey |
VPVMAWOPPJSTCZ-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