General Information of the Compound
| Compound ID |
CP0452043
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| Compound Name |
(2R,3S)-1-[3-(2-hydroxyethyl)indol-1-yl]-2-methyl-4-methylidenenonan-3-ol
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| Structure |
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| Formula |
C21H31NO2
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| Molecular Weight |
329.484
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| Canonical SMILES |
CCCCCC(=C)[C@@H](O)[C@H](C)Cn1cc(CCO)c2ccccc12
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| InChI |
InChI=1S/C21H31NO2/c1-4-5-6-9-16(2)21(24)17(3)14-22-15-18(12-13-23)19-10-7-8-11-20(19)22/h7-8,10-11,15,17,21,23-24H,2,4-6,9,12-14H2,1,3H3/t17-,21-/m1/s1
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| InChIKey |
CWZPKOLLXRMBBO-DYESRHJHSA-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