General Information of the Compound
| Compound ID |
CP0366150
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| Compound Name |
1-[2-(4-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]urea
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| Structure |
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| Formula |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccc(N)cc1
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| InChI |
InChI=1S/C30H36N6O3/c1-30(2,3)27-20-28(36(34-27)22-10-8-21(31)9-11-22)33-29(37)32-25-12-13-26(24-7-5-4-6-23(24)25)39-19-16-35-14-17-38-18-15-35/h4-13,20H,14-19,31H2,1-3H3,(H2,32,33,37)
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| InChIKey |
FNOHHJHSNNPXEW-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