General Information of the Compound
| Compound ID |
CP0492398
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| Compound Name |
2-Butanol deriv. 20
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| Structure |
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| Formula |
C34H46N2O3
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| Molecular Weight |
530.753
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| Canonical SMILES |
CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C34H46N2O3/c1-32(2,3)25-18-16-23(28(21-25)30(38)35-33(4,5)6)17-19-26(37)20-24-15-14-22-12-10-11-13-27(22)29(24)31(39)36-34(7,8)9/h10-16,18,21,26,37H,17,19-20H2,1-9H3,(H,35,38)(H,36,39)
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| InChIKey |
UKBXETHUEAFLAY-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