General Information of the Compound
| Compound ID |
CP0573194
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| Compound Name |
tert-butyl N-methyl-N-[3-[[2-oxo-3-(phenylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
CN(C(=O)OC(C)(C)C)c1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C30H34N4O4/c1-30(2,3)38-29(37)33(4)24-15-10-11-21(19-24)20-34-26-16-9-8-12-22(26)17-18-25(27(34)35)32-28(36)31-23-13-6-5-7-14-23/h5-16,19,25H,17-18,20H2,1-4H3,(H2,31,32,36)
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| InChIKey |
WMNHOFDFWJAUFJ-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