General Information of the Compound
| Compound ID |
CP0440092
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| Compound Name |
(S)-1-{(1R,2R,3S,4aR,8aS)-1-[(E)-2-((2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-hydroxymethyl-decahydro-naphthalen-2-yl}-ethanol
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| Structure |
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| Formula |
C22H39NO2
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| Molecular Weight |
349.559
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| Canonical SMILES |
C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
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| InChI |
InChI=1S/C22H39NO2/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18(14-24)22(21)16(2)25/h11-12,15-22,24-25H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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| InChIKey |
VPLZUHNLPZRDQE-RRAGSXFASA-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