General Information of the Compound
| Compound ID |
CP0283937
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| Compound Name |
(2R,3S)-2,3-dihydroxy-3-[6-[5-methyl-3-(trifluoromethyl)-6H-benzo[b][1,4]benzoxazepin-8-yl]pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)[C@@H](O)C(N)=O
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| InChI |
InChI=1S/C23H20F3N3O4/c1-29-11-13-9-12(15-3-2-4-16(28-15)20(30)21(31)22(27)32)5-7-18(13)33-19-8-6-14(10-17(19)29)23(24,25)26/h2-10,20-21,30-31H,11H2,1H3,(H2,27,32)/t20-,21+/m0/s1
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| InChIKey |
VOQXWCFJBYADIQ-LEWJYISDSA-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