General Information of the Compound
| Compound ID |
CP0467643
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)propan-2-ol
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| Structure |
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| Formula |
C19H17F6NO3S
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| Molecular Weight |
453.404
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| Canonical SMILES |
OC(c1ccc2N(CCCCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H17F6NO3S/c20-18(21,22)17(27,19(23,24)25)14-9-10-16-13(12-14)6-4-5-11-26(16)30(28,29)15-7-2-1-3-8-15/h1-3,7-10,12,27H,4-6,11H2
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| InChIKey |
DDNVITBNHCJLMB-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