General Information of the Compound
| Compound ID |
CP0386203
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| Compound Name |
(1S)-1-[6-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1,4]benzoxazepin-8-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C21H17F3N2O3
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| Molecular Weight |
402.372
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| Canonical SMILES |
OC[C@@H](O)c1cccc(n1)-c1ccc2Oc3ccc(cc3NCc2c1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N2O3/c22-21(23,24)14-5-7-20-17(9-14)25-10-13-8-12(4-6-19(13)29-20)15-2-1-3-16(26-15)18(28)11-27/h1-9,18,25,27-28H,10-11H2/t18-/m1/s1
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| InChIKey |
RDPGKISHEJTYKG-GOSISDBHSA-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