General Information of the Compound
| Compound ID |
CP0467027
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| Compound Name |
N-[(3,5-dibromo-4-hydroxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanamide
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| Structure |
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| Formula |
C29H36Br2N4O4
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| Molecular Weight |
664.439
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| Canonical SMILES |
CC(C)CCN(Cc1cc(Br)c(O)c(Br)c1)C(=O)CCC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C29H36Br2N4O4/c1-19(2)9-12-34(17-20-15-23(30)28(38)24(31)16-20)27(37)8-7-26(36)33-13-10-22(11-14-33)35-18-21-5-3-4-6-25(21)32-29(35)39/h3-6,15-16,19,22,38H,7-14,17-18H2,1-2H3,(H,32,39)
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| InChIKey |
XRFWGSPBZSJZIB-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