General Information of the Compound
| Compound ID |
CP0531728
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| Compound Name |
(acetyloxy)methyl 2-{4-[(1R)-1-[(1-methyl-3-phenyl-1H-pyrazol-5- yl)formamido]ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C24H25N3O7S
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| Molecular Weight |
499.545
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)CC(=O)OCOC(C)=O
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| InChI |
InChI=1S/C24H25N3O7S/c1-16(25-24(30)22-13-21(26-27(22)3)19-7-5-4-6-8-19)18-9-11-20(12-10-18)35(31,32)14-23(29)34-15-33-17(2)28/h4-13,16H,14-15H2,1-3H3,(H,25,30)/t16-/m1/s1
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| InChIKey |
ZCLHBTSGZMODGY-MRXNPFEDSA-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