General Information of the Compound
| Compound ID |
CP0847668
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| Compound Name |
rac-(5-(2-(aminomethyl)phenyl)thiophen-2-yl)(3-(5-aminopyridin-3-yl)-5-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H22FN5O2S
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| Molecular Weight |
487.56
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| Canonical SMILES |
NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)CC2c2c(O)cccc2F)s1
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| InChI |
InChI=1S/C26H22FN5O2S/c27-19-6-3-7-22(33)25(19)21-11-20(16-10-17(29)14-30-13-16)31-32(21)26(34)24-9-8-23(35-24)18-5-2-1-4-15(18)12-28/h1-10,13-14,21,33H,11-12,28-29H2
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| InChIKey |
XJXZYNPPFGRNGY-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