General Information of the Compound
| Compound ID |
CP0217373
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| Compound Name |
5-amino-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H29F3N4O2
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| Molecular Weight |
486.538
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| Canonical SMILES |
CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34)
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| InChIKey |
RDHOUXJDBGOXKP-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