General Information of the Compound
| Compound ID |
CP0418156
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| Compound Name |
(+/-)-Erythro--3-(ethylamino)-1-(1H-indol-1-yl)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
CCNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc12
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| InChI |
InChI=1S/C19H22N2O/c1-2-20-14-18(22)19(16-9-4-3-5-10-16)21-13-12-15-8-6-7-11-17(15)21/h3-13,18-20,22H,2,14H2,1H3/t18-,19-/m0/s1
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| InChIKey |
KSVISHYLWAYQCI-OALUTQOASA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter