General Information of the Compound
| Compound ID |
CP0526159
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H32N6O3
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| Molecular Weight |
560.658
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H32N6O3/c1-21-16-22(17-25-19-34-37-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)42-33(41)38-14-12-26(13-15-38)39-20-24-7-3-5-9-28(24)36-32(39)40/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,37)(H,36,40)
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| InChIKey |
VDCXGJLJVRTRJB-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