General Information of the Compound
| Compound ID |
CP0918378
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| Compound Name |
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
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| Structure |
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| Formula |
C22H17N5O2S
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| Molecular Weight |
415.478
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| Canonical SMILES |
O=C(c1cc(-c2cccs2)n[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C22H17N5O2S/c28-20-7-2-1-6-15(20)19-12-16(14-5-3-9-23-13-14)26-27(19)22(29)18-11-17(24-25-18)21-8-4-10-30-21/h1-11,13,19,28H,12H2,(H,24,25)
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| InChIKey |
ILDHGPXJMRGGTC-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