General Information of the Compound
| Compound ID |
CP0463718
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| Compound Name |
N-[(2-methoxynaphthalen-1-yl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H28F3N5O2
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| Molecular Weight |
511.548
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1c(OC)ccc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5O2/c1-31-12-13-32-16-18-6-5-8-20(14-18)35-23(15-25(34-35)27(28,29)30)26(36)33-17-22-21-9-4-3-7-19(21)10-11-24(22)37-2/h3-11,14-15,31-32H,12-13,16-17H2,1-2H3,(H,33,36)
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| InChIKey |
FRELWJNLIPWVFB-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