General Information of the Compound
| Compound ID |
CP0553822
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| Compound Name |
US8987445, 61
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| Structure |
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| Formula |
C29H28N2O4S
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| Molecular Weight |
500.62
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2c(CCC2(C)C)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H28N2O4S/c1-19-25-7-5-4-6-23(25)17-30-27(19)31(36(34,35)24-11-9-21(10-12-24)28(32)33)18-20-8-13-26-22(16-20)14-15-29(26,2)3/h4-13,16-17H,14-15,18H2,1-3H3,(H,32,33)
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| InChIKey |
TXMQIHYKAVMTEJ-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