General Information of the Compound
| Compound ID |
CP0514157
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| Compound Name |
1,4-diazepan-1-yl-[1-(4-methoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindol-3-yl]methanone
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| Structure |
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| Formula |
C25H27N3O4S
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| Molecular Weight |
465.575
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| Canonical SMILES |
COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)N2CCCNCC2)c2ccccc12
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| InChI |
InChI=1S/C25H27N3O4S/c1-32-23-11-12-24(20-9-3-2-8-19(20)23)33(30,31)28-17-21(18-7-4-5-10-22(18)28)25(29)27-15-6-13-26-14-16-27/h2-5,7-12,21,26H,6,13-17H2,1H3
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| InChIKey |
VZJXKZSVPZSVOQ-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