General Information of the Compound
| Compound ID |
CP0144438
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| Compound Name |
4-(adamantan-1-ylamino)-1-(1H-indol-4-yloxy)-butan-2-ol
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| Structure |
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| Formula |
C22H30N2O2
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| Molecular Weight |
354.494
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| Canonical SMILES |
OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C22H30N2O2/c25-18(14-26-21-3-1-2-20-19(21)5-6-23-20)4-7-24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-3,5-6,15-18,23-25H,4,7-14H2
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| InChIKey |
CFAIJELKYFWCTL-UHFFFAOYSA-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