General Information of the Compound
| Compound ID |
CP0416421
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| Compound Name |
1-Indan-5-yl-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
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| Structure |
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| Formula |
C31H35N5O3
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| Molecular Weight |
525.653
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4CCCc4c3)C2=O)c1
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| InChI |
InChI=1S/C31H35N5O3/c1-20(2)32-30(38)33-25-11-5-7-21(17-25)19-36-28-12-4-3-8-23(28)14-16-27(29(36)37)35-31(39)34-26-15-13-22-9-6-10-24(22)18-26/h3-5,7-8,11-13,15,17-18,20,27H,6,9-10,14,16,19H2,1-2H3,(H2,32,33,38)(H2,34,35,39)
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| InChIKey |
DGIZXAPHRQPHRE-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