General Information of the Compound
| Compound ID |
CP0524780
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| Compound Name |
tert-butyl N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]carbamate
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| Structure |
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| Formula |
C32H48N6O5
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| Molecular Weight |
596.773
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C32H48N6O5/c1-32(2,3)43-31(42)34-27(29(40)37-19-11-24(12-20-37)35-15-7-4-8-16-35)21-28(39)36-17-13-25(14-18-36)38-22-23-9-5-6-10-26(23)33-30(38)41/h5-6,9-10,24-25,27H,4,7-8,11-22H2,1-3H3,(H,33,41)(H,34,42)/t27-/m0/s1
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| InChIKey |
JZNDGRXEKKEXAU-MHZLTWQESA-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