General Information of the Compound
| Compound ID |
CP0845300
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| Compound Name |
(1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-spiro[cyclohexane-1,30-indol]-1'(2'H)-ylpropan-2-ol Hydrochloride
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| Structure |
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| Formula |
C23H30ClFN2O
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| Molecular Weight |
404.957
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCCC2)c2ccccc21.Cl
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| InChI |
InChI=1S/C23H29FN2O.ClH/c1-25-15-21(27)22(17-8-7-9-18(24)14-17)26-16-23(12-5-2-6-13-23)19-10-3-4-11-20(19)26;/h3-4,7-11,14,21-22,25,27H,2,5-6,12-13,15-16H2,1H3;1H/t21-,22+;/m1./s1
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| InChIKey |
HMQMRPICUDGPQP-NSLUPJTDSA-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