General Information of the Compound
| Compound ID |
CP0580021
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N-hydroxy-N'-(4-methylphenyl)carbamimidoyl]phenyl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C30H39N5O2
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| Molecular Weight |
501.675
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(\Nc1ccc(C)cc1)=N\O
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| InChI |
InChI=1S/C30H39N5O2/c1-20(2)18-35(19-21(3)4)28-16-11-24(29(34-37)31-25-12-7-22(5)8-13-25)17-27(28)33-30(36)32-26-14-9-23(6)10-15-26/h7-17,20-21,37H,18-19H2,1-6H3,(H,31,34)(H2,32,33,36)
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| InChIKey |
PIERQZMNCCUICV-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