General Information of the Compound
| Compound ID |
CP0059105
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| Compound Name |
(S)-1-(adamantan-1-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](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m0/s1
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| InChIKey |
NILCXRPLMSLFEG-HQHQJUQOSA-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