General Information of the Compound
| Compound ID |
CP0401099
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| Compound Name |
2-Butanol deriv. 5
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| Structure |
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| Formula |
C29H36N2O3S
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| Molecular Weight |
492.685
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C29H36N2O3S/c1-28(2,3)30-26(33)23-13-9-10-14-24(23)35-18-21(32)17-20-16-15-19-11-7-8-12-22(19)25(20)27(34)31-29(4,5)6/h7-16,21,32H,17-18H2,1-6H3,(H,30,33)(H,31,34)
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| InChIKey |
DPXOXISAOYTUJS-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