General Information of the Compound
| Compound ID |
CP0575280
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| Compound Name |
1-methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[3,2-e][1,4]diazepin-5-one
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| Structure |
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| Formula |
C23H26N4O2S
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| Molecular Weight |
422.554
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| Canonical SMILES |
CNCCC(Oc1cccc(c1)N1CCN(C)c2cccnc2C1=O)c1cccs1
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| InChI |
InChI=1S/C23H26N4O2S/c1-24-12-10-20(21-9-5-15-30-21)29-18-7-3-6-17(16-18)27-14-13-26(2)19-8-4-11-25-22(19)23(27)28/h3-9,11,15-16,20,24H,10,12-14H2,1-2H3
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| InChIKey |
DXVNGVMZAPBUCS-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