General Information of the Compound
| Compound ID |
CP0417752
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| Compound Name |
1'-[(1R)-3-(methylamino)-1-phenylpropyl]-1',2'-dihydrospiro[cyclohexane-1,3'-indole]-2'-one
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C23H28N2O/c1-24-17-14-20(18-10-4-2-5-11-18)25-21-13-7-6-12-19(21)23(22(25)26)15-8-3-9-16-23/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/t20-/m1/s1
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| InChIKey |
ILKQBHSHNTVIIC-HXUWFJFHSA-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