General Information of the Compound
| Compound ID |
CP0417854
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| Compound Name |
1-Isopropyl-1-[3-(4-methyl-piperazin-1-yl)-phenyl]-3-phenyl-urea
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CC(C)N(C(=O)Nc1ccccc1)c1cccc(c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H28N4O/c1-17(2)25(21(26)22-18-8-5-4-6-9-18)20-11-7-10-19(16-20)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3,(H,22,26)
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| InChIKey |
KVHFVGMFACJKKD-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