FD6   Click here for help

GtoPdb Ligand ID: 10215

Synonyms: 6-[3-(dimethylamino)propionyl]-14 15-dihydroforskolin [1]
Compound class: Synthetic organic
Comment: FD6 is a forskolin derivative [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 117.56
Molecular weight 512.35
XLogP 1.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)OCNCCN(C)C)O
Isomeric SMILES CC[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OCNCCN(C)C)O
InChI InChI=1S/C27H48N2O7/c1-10-24(5)15-19(32)27(33)25(6)18(31)11-12-23(3,4)21(25)20(34-16-28-13-14-29(8)9)22(35-17(2)30)26(27,7)36-24/h18,20-22,28,31,33H,10-16H2,1-9H3/t18-,20-,21-,22-,24-,25-,26+,27-/m0/s1
InChI Key MTINGHUODSDGHI-JDHRZFKJSA-N

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