General Information of the Compound
| Compound ID |
CP0578733
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| Compound Name |
(1S)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]ethanol
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| Structure |
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| Formula |
C23H22F6N2O2
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| Molecular Weight |
472.429
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| Canonical SMILES |
COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H22F6N2O2/c1-33-13-15(10-14-6-3-2-4-7-14)30-12-19(32)17-11-20(23(27,28)29)31-21-16(17)8-5-9-18(21)22(24,25)26/h2-9,11,15,19,30,32H,10,12-13H2,1H3/t15-,19+/m0/s1
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| InChIKey |
TZXAENYIJDOHQI-HNAYVOBHSA-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