General Information of the Compound
| Compound ID |
CP0516870
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| Compound Name |
8-(ethylamino)-1-methyl-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 |
C25H31N5O2S
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| Molecular Weight |
465.623
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| Canonical SMILES |
CCNc1ccc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3cccs3)c1)C2=O
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| InChI |
InChI=1S/C25H31N5O2S/c1-4-27-23-11-10-20-24(28-23)29(3)14-15-30(25(20)31)18-7-5-8-19(17-18)32-21(12-13-26-2)22-9-6-16-33-22/h5-11,16-17,21,26H,4,12-15H2,1-3H3,(H,27,28)/t21-/m0/s1
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| InChIKey |
DZLGMNWIHGPMMA-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