General Information of the Compound
| Compound ID |
CP0444434
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| Compound Name |
2-(4-fluorophenyl)-N,N-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
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| Structure |
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| Formula |
C22H23FN2O4S
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| Molecular Weight |
430.501
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| Canonical SMILES |
CN(C)C(=O)c1c(oc2cc3N(CCCCc3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H23FN2O4S/c1-24(2)22(26)20-17-12-15-6-4-5-11-25(30(3,27)28)18(15)13-19(17)29-21(20)14-7-9-16(23)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3
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| InChIKey |
FGIJNKWYCNDHQT-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