General Information of the Compound
| Compound ID |
CP0516871
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| Compound Name |
1-methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydro-1,4-benzodiazepin-5-one
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| Structure |
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| Formula |
C24H27N3O2S
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| Molecular Weight |
421.566
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| Canonical SMILES |
CNCCC(Oc1cccc(c1)N1CCN(C)c2ccccc2C1=O)c1cccs1
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| InChI |
InChI=1S/C24H27N3O2S/c1-25-13-12-22(23-11-6-16-30-23)29-19-8-5-7-18(17-19)27-15-14-26(2)21-10-4-3-9-20(21)24(27)28/h3-11,16-17,22,25H,12-15H2,1-2H3
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| InChIKey |
HNBPLGZOUSBZKX-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