General Information of the Compound
| Compound ID |
CP0490997
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| Compound Name |
US10167273, Example 61
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| Structure |
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| Formula |
C21H28ClN3O4S
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| Molecular Weight |
453.992
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
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| InChI |
InChI=1S/C21H28ClN3O4S/c1-5-29-20(26)21(14-17-6-8-18(22)9-7-17)10-12-25(13-11-21)30(27,28)19-15(2)23-24(4)16(19)3/h6-9H,5,10-14H2,1-4H3
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| InChIKey |
INLJEVYIEFJKCG-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