General Information of the Compound
| Compound ID |
CP0853261
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| Compound Name |
rac-(5-(2-(aminomethyl)phenyl)thiophen-2-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H22N4O2S
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| Molecular Weight |
454.555
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| Canonical SMILES |
NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)s1
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| InChI |
InChI=1S/C26H22N4O2S/c27-15-17-6-1-2-8-19(17)24-11-12-25(33-24)26(32)30-22(20-9-3-4-10-23(20)31)14-21(29-30)18-7-5-13-28-16-18/h1-13,16,22,31H,14-15,27H2
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| InChIKey |
ZHTGLEKJMOFFQV-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