General Information of the Compound
| Compound ID |
CP0573132
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| Compound Name |
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N,N-bis(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
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| Formula |
C25H24F4N4O3
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| Molecular Weight |
504.484
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| Canonical SMILES |
OCCN(CCO)C(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C25H24F4N4O3/c26-18-11-16(10-17(13-18)25(27,28)29)12-19-14-23(31-15-30-19)33-5-4-20-21(2-1-3-22(20)33)24(36)32(6-8-34)7-9-35/h1-3,10-11,13-15,34-35H,4-9,12H2
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| InChIKey |
VHGXEZYVXBIELC-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