General Information of the Compound
| Compound ID |
CP0967180
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| Compound Name |
10-Ethoxy-ibogaine
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
CCOc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2C[C@H](CC)[C@H]1[C@H]3C2
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| InChI |
InChI=1S/C21H28N2O/c1-3-14-9-13-10-18-20-16(7-8-23(12-13)21(14)18)17-11-15(24-4-2)5-6-19(17)22-20/h5-6,11,13-14,18,21-22H,3-4,7-10,12H2,1-2H3/t13-,14+,18+,21+/m1/s1
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| InChIKey |
VCINYOPLVAFQAJ-GOVYDOAXSA-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: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT04993, Synaptic vesicular amine transporter