General Information of the Compound
| Compound ID |
CP0206866
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| Compound Name |
4-[2-amino-4-methyl-3-(2-methyl-1,3-benzothiazol-5-yl)benzoyl]-1-methyl-2,5-diphenylpyrazol-3-one
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| Structure |
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| Formula |
C32H26N4O2S
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| Molecular Weight |
530.653
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| Canonical SMILES |
Cc1nc2cc(ccc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
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| InChI |
InChI=1S/C32H26N4O2S/c1-19-14-16-24(29(33)27(19)22-15-17-26-25(18-22)34-20(2)39-26)31(37)28-30(21-10-6-4-7-11-21)35(3)36(32(28)38)23-12-8-5-9-13-23/h4-18H,33H2,1-3H3
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| InChIKey |
FMKSPJHSPNIVAS-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