General Information of the Compound
| Compound ID |
CP0522070
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| Compound Name |
propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(morpholin-4-ylmethyl)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
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| Structure |
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| Formula |
C30H34FN3O4
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| Molecular Weight |
519.617
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C30H34FN3O4/c1-19(2)38-29(36)24-17-34(18-30(3,4)26-23-10-9-22(31)15-25(23)32-27(24)26)28(35)21-7-5-20(6-8-21)16-33-11-13-37-14-12-33/h5-10,15,17,19,32H,11-14,16,18H2,1-4H3
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| InChIKey |
USHBUDYJBKTKGC-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