General Information of the Compound
| Compound ID |
CP0569806
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| Compound Name |
1-[3-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-phenylthiourea
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| Formula |
C27H20ClN5OS
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| Molecular Weight |
498.011
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| Canonical SMILES |
Oc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=S)Nc2ccccc2)c1
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| InChI |
InChI=1S/C27H20ClN5OS/c28-24-15-19(9-10-25(24)34)26-23(18-11-13-29-14-12-18)17-33(32-26)22-8-4-7-21(16-22)31-27(35)30-20-5-2-1-3-6-20/h1-17,34H,(H2,30,31,35)
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| InChIKey |
XWHOWGZBAYNHCR-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