General Information of the Compound
| Compound ID |
CP0552813
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N-hydroxy-N'-(4-methylphenyl)carbamimidoyl]phenyl]-3-pyrimidin-5-ylurea
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| Structure |
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| Formula |
C27H35N7O2
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| Molecular Weight |
489.624
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)C(\Nc1ccc(C)cc1)=N\O
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| InChI |
InChI=1S/C27H35N7O2/c1-18(2)15-34(16-19(3)4)25-11-8-21(26(33-36)30-22-9-6-20(5)7-10-22)12-24(25)32-27(35)31-23-13-28-17-29-14-23/h6-14,17-19,36H,15-16H2,1-5H3,(H,30,33)(H2,31,32,35)
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| InChIKey |
CVTQVFYPEYMMTQ-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