General Information of the Compound
| Compound ID |
CP0510297
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| Compound Name |
1-{9-[3-(3-Isopropyl-ureido)-benzyl]-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-yl}-3-phenyl-urea
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| Structure |
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| Formula |
C27H29N5O4
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| Molecular Weight |
487.56
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3OCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C27H29N5O4/c1-18(2)28-26(34)30-21-12-8-9-19(15-21)16-32-23-13-6-7-14-24(23)36-17-22(25(32)33)31-27(35)29-20-10-4-3-5-11-20/h3-15,18,22H,16-17H2,1-2H3,(H2,28,30,34)(H2,29,31,35)
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| InChIKey |
GOTMYVSCCFKKAP-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