General Information of the Compound
| Compound ID |
CP0931001
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| Compound Name |
N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(piperazin-1-ylmethyl)phenyl]pyridin-2-yl}furan-2-carbox-amide trifluoroacetate
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| Structure |
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| Formula |
C30H25F4N5O5
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| Molecular Weight |
611.552
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| Canonical SMILES |
N#Cc1c(-c2cccc(CN3CCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C28H24FN5O3.C2HF3O2/c29-20-6-7-21(25(35)14-20)24-15-22(19-4-1-3-18(13-19)17-34-10-8-31-9-11-34)23(16-30)27(32-24)33-28(36)26-5-2-12-37-26;3-2(4,5)1(6)7/h1-7,12-15,31,35H,8-11,17H2,(H,32,33,36);(H,6,7)
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| InChIKey |
USPIPPJUSFEKFM-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