General Information of the Compound
| Compound ID |
CP0877292
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| Compound Name |
grandisine D
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| Synonyms |
(+)-Grandisine D
Grandisine D
grandisine D
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| Structure |
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| Formula |
C16H21NO2
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| Molecular Weight |
259.349
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| Canonical SMILES |
C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCCN2CCC[C@@H]12
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| InChI |
InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/t11-,13-,15+/m0/s1
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| InChIKey |
FKYCJVGMJYUVIJ-CORIIIEPSA-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
Clinical Information about the Compound