General Information of the Compound
Compound ID |
CP0456467
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Compound Name |
(S)-2-(3-(1-(1H-indol-2-yl)-2-methylpropan-2-ylamino)-2-hydroxypropoxy)benzonitrile
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Structure |
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Formula |
C22H25N3O2
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Molecular Weight |
363.461
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Canonical SMILES |
CC(C)(Cc1cc2ccccc2[nH]1)NC[C@H](O)COc1ccccc1C#N
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InChI |
InChI=1S/C22H25N3O2/c1-22(2,12-18-11-16-7-3-5-9-20(16)25-18)24-14-19(26)15-27-21-10-6-4-8-17(21)13-23/h3-11,19,24-26H,12,14-15H2,1-2H3/t19-/m0/s1
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InChIKey |
AXRVCNULDRURKD-IBGZPJMESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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