General Information of the Compound
| Compound ID |
CP0888596
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| Compound Name |
rac-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(1-methyl-1H-pyrazol-4-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C23H19N5O2S
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| Molecular Weight |
429.505
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| Canonical SMILES |
Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)s2)cn1
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| InChI |
InChI=1S/C23H19N5O2S/c1-27-14-16(13-25-27)21-8-9-22(31-21)23(30)28-19(17-6-2-3-7-20(17)29)11-18(26-28)15-5-4-10-24-12-15/h2-10,12-14,19,29H,11H2,1H3
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| InChIKey |
IUFHFMCUUCDKCE-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