General Information of the Compound
| Compound ID |
CP0485181
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| Compound Name |
1-{1-[3-(3-Cyclopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-phenyl-urea
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
O=C(NC1CC1)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C28H29N5O3/c34-26-24(32-28(36)29-21-9-2-1-3-10-21)16-13-20-8-4-5-12-25(20)33(26)18-19-7-6-11-23(17-19)31-27(35)30-22-14-15-22/h1-12,17,22,24H,13-16,18H2,(H2,29,32,36)(H2,30,31,35)
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| InChIKey |
IQFODEQLCDJNPB-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