General Information of the Compound
| Compound ID |
CP0511220
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| Compound Name |
1-Isopropyl-3-(3-{2-oxo-3-[(3-phenyl-ureido)-methyl]-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-phenyl)-urea
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(CNC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C29H33N5O3/c1-20(2)31-29(37)33-25-13-8-9-21(17-25)19-34-26-14-7-6-10-22(26)15-16-23(27(34)35)18-30-28(36)32-24-11-4-3-5-12-24/h3-14,17,20,23H,15-16,18-19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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| InChIKey |
PZFSUXKUZDNNGH-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