General Information of the Compound
| Compound ID |
CP0553322
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| Compound Name |
1,8-dimethyl-4-[3-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
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| Structure |
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| Formula |
C24H28N4O2S
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| Molecular Weight |
436.581
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| Canonical SMILES |
CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(C)ccc2C1=O)c1cccs1
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| InChI |
InChI=1S/C24H28N4O2S/c1-17-9-10-20-23(26-17)27(3)13-14-28(24(20)29)18-6-4-7-19(16-18)30-21(11-12-25-2)22-8-5-15-31-22/h4-10,15-16,21,25H,11-14H2,1-3H3/t21-/m0/s1
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| InChIKey |
CSMFISHCWWFZFJ-NRFANRHFSA-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