General Information of the Compound
| Compound ID |
CP0904820
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| Compound Name |
rac-(5-(2-(aminomethyl)phenyl)thiophen-2-yl)(3-(5-fluoropyridin-3-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H21FN4O2S
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| Molecular Weight |
472.545
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| Canonical SMILES |
NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(F)c3)CC2c2ccccc2O)s1
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| InChI |
InChI=1S/C26H21FN4O2S/c27-18-11-17(14-29-15-18)21-12-22(20-7-3-4-8-23(20)32)31(30-21)26(33)25-10-9-24(34-25)19-6-2-1-5-16(19)13-28/h1-11,14-15,22,32H,12-13,28H2
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| InChIKey |
PZBLFAYHKXNIBR-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