General Information of the Compound
| Compound ID |
CP0410691
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| Compound Name |
5-[(acetyloxy)amino]-3-(4-chlorophenyl)-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazole
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(c2CC(CCc12)NOC(C)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClN3O3/c1-14(27)29-25-17-7-12-21-20(13-17)22(15-3-5-16(23)6-4-15)24-26(21)18-8-10-19(28-2)11-9-18/h3-6,8-11,17,25H,7,12-13H2,1-2H3
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| InChIKey |
IHYKWEIOYZLOQH-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