General Information of the Compound
| Compound ID |
CP0400806
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| Compound Name |
N-[3-cyano-4-[3-[3-(diethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C31H30FN5O4
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| Molecular Weight |
555.61
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| Canonical SMILES |
CCN(CC)C(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C31H30FN5O4/c1-4-37(5-2)19(3)14-29(39)34-22-9-6-8-20(15-22)24-17-26(23-12-11-21(32)16-27(23)38)35-30(25(24)18-33)36-31(40)28-10-7-13-41-28/h6-13,15-17,19,38H,4-5,14H2,1-3H3,(H,34,39)(H,35,36,40)
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| InChIKey |
ZFZOJMJOOSZWMT-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