General Information of the Compound
| Compound ID |
CP0434279
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| Compound Name |
(S)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
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| Structure |
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| Formula |
C20H24N2O
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| Molecular Weight |
308.425
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| Canonical SMILES |
CNCC[C@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C20H24N2O/c1-20(2)16-11-7-8-12-18(16)22(19(20)23)17(13-14-21-3)15-9-5-4-6-10-15/h4-12,17,21H,13-14H2,1-3H3/t17-/m0/s1
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| InChIKey |
SQCPLVXIAQOQFF-KRWDZBQOSA-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