General Information of the Compound
| Compound ID |
CP0496480
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| Compound Name |
1-(3-{3-[N'-(4-Hydroxy-phenyl)-guanidino]-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-phenyl)-3-isopropyl-urea
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(N)Nc3ccc(O)cc3)C2=O)c1
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| InChI |
InChI=1S/C28H32N6O3/c1-18(2)30-28(37)32-22-8-5-6-19(16-22)17-34-25-9-4-3-7-20(25)10-15-24(26(34)36)33-27(29)31-21-11-13-23(35)14-12-21/h3-9,11-14,16,18,24,35H,10,15,17H2,1-2H3,(H3,29,31,33)(H2,30,32,37)
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| InChIKey |
ZPMXJWFQXUWTDH-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