General Information of the Compound
| Compound ID |
CP0398532
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| Compound Name |
(+/-)-Erythro--3-(cyclohexylmethylamino)-1-(1H-indol-1-yl)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C24H30N2O
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| Molecular Weight |
362.517
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| Canonical SMILES |
O[C@@H](CNCC1CCCCC1)[C@H](c1ccccc1)n1ccc2ccccc12
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| InChI |
InChI=1S/C24H30N2O/c27-23(18-25-17-19-9-3-1-4-10-19)24(21-12-5-2-6-13-21)26-16-15-20-11-7-8-14-22(20)26/h2,5-8,11-16,19,23-25,27H,1,3-4,9-10,17-18H2/t23-,24-/m0/s1
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| InChIKey |
NEVVQGBYHRTAEI-ZEQRLZLVSA-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