General Information of the Compound
| Compound ID |
CP0144436
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| Compound Name |
(S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-propan-2-ol
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C21H28N2O2/c24-17(12-25-20-3-1-2-19-18(20)4-5-22-19)11-23-21-15-7-13-6-14(9-15)10-16(21)8-13/h1-5,13-17,21-24H,6-12H2/t13?,14?,15?,16?,17-,21?/m0/s1
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| InChIKey |
YBHDYSORKFCAGR-KNVKKHEKSA-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