General Information of the Compound
| Compound ID |
CP0460761
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| Compound Name |
1-(1H-Indol-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 |
C30H32N6O3
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| Molecular Weight |
524.625
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ccc4c3)C2=O)c1
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| InChI |
InChI=1S/C30H32N6O3/c1-19(2)32-29(38)33-23-8-5-6-20(16-23)18-36-27-9-4-3-7-21(27)10-12-26(28(36)37)35-30(39)34-24-11-13-25-22(17-24)14-15-31-25/h3-9,11,13-17,19,26,31H,10,12,18H2,1-2H3,(H2,32,33,38)(H2,34,35,39)
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| InChIKey |
JBIPHAYAHXNPIQ-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