General Information of the Compound
| Compound ID |
CP0851507
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| Compound Name |
Voacanginol
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](CO)(C2)[C@H]13
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| InChI |
InChI=1S/C21H28N2O2/c1-3-14-8-13-10-21(12-24)19-16(6-7-23(11-13)20(14)21)17-9-15(25-2)4-5-18(17)22-19/h4-5,9,13-14,20,22,24H,3,6-8,10-12H2,1-2H3/t13-,14+,20+,21-/m1/s1
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| InChIKey |
JKVHRIYIUCRJFF-VKTIVEEGSA-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8