General Information of the Compound
| Compound ID |
CP0460762
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| Compound Name |
phenyl 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 |
C31H28N4O4
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| Molecular Weight |
520.589
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| Canonical SMILES |
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Oc3ccccc3)c2)C1=O)Nc1ccccc1
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| InChI |
InChI=1S/C31H28N4O4/c36-29-27(34-30(37)32-24-12-3-1-4-13-24)19-18-23-11-7-8-17-28(23)35(29)21-22-10-9-14-25(20-22)33-31(38)39-26-15-5-2-6-16-26/h1-17,20,27H,18-19,21H2,(H,33,38)(H2,32,34,37)
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| InChIKey |
NIUKLDGTHFVUIR-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