General Information of the Compound
| Compound ID |
CP0121598
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| Compound Name |
3-[1-(3-methoxyphenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C27H25N5O2S
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| Molecular Weight |
483.597
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| Canonical SMILES |
COc1cccc(c1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-8-5-4-6-9-18)19-12-13-23-20(14-19)16-29-32(23)21-10-7-11-22(15-21)34-3/h4-17,24H,1-3H3,(H,30,31,33)
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| InChIKey |
QIYCLOMEAXWJNF-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