General Information of the Compound
| Compound ID |
CP0904788
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| Compound Name |
US9475795, 109
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| Structure |
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| Formula |
C19H26ClN3O3S
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| Molecular Weight |
411.955
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| Canonical SMILES |
COCC(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
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| InChI |
InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22-21-13)27(24,25)23-10-8-16(9-11-23)18(12-26-3)15-4-6-17(20)7-5-15/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)
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| InChIKey |
AZYYSNBRKYPRHK-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