General Information of the Compound
| Compound ID |
CP0404181
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| Compound Name |
2-Butanol deriv. 21
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| Structure |
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| Formula |
C34H52N2O3
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| Molecular Weight |
536.801
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| Canonical SMILES |
CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc(cc1C(=O)NC(C)(C)C)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C34H52N2O3/c1-31(2,3)24-16-13-22(27(20-24)29(38)35-33(7,8)9)15-18-26(37)19-23-14-17-25(32(4,5)6)21-28(23)30(39)36-34(10,11)12/h13-14,16-17,20-21,26,37H,15,18-19H2,1-12H3,(H,35,38)(H,36,39)
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| InChIKey |
WXARQAZSUBBQIW-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