General Information of the Compound
| Compound ID |
CP0418812
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| Compound Name |
(R)-2-[2-(7-Benzyloxy-1H-indol-3-yl)-1-methyl-ethylamino]-1-(3-chloro-phenyl)-ethanol
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| Structure |
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| Formula |
C26H27ClN2O2
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| Molecular Weight |
434.967
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| Canonical SMILES |
CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H27ClN2O2/c1-18(28-16-24(30)20-9-5-10-22(27)14-20)13-21-15-29-26-23(21)11-6-12-25(26)31-17-19-7-3-2-4-8-19/h2-12,14-15,18,24,28-30H,13,16-17H2,1H3/t18?,24-/m0/s1
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| InChIKey |
YZFMZKWJROUPGJ-LUTIACGYSA-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