General Information of the Compound
| Compound ID |
CP0667782
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| Compound Name |
2-Ethyl-6-methyl-7,7-dioxo-6,7,8,9-tetrahydro-2H-7lambda*6*-thia-2,6-diaza-benzo[cd]azulene-4-carboxylic acid [(S)-1-benzyl-2-oxo-3-(tetrahydro-pyran-4-ylamino)-propyl]-amide
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| Structure |
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| Formula |
C29H36N4O5S
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| Molecular Weight |
552.697
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| Canonical SMILES |
CCn1cc2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)CNC4CCOCC4)cc31)N(C)S(=O)(=O)CC2
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| InChI |
InChI=1S/C29H36N4O5S/c1-3-33-19-21-11-14-39(36,37)32(2)25-16-22(17-26(33)28(21)25)29(35)31-24(15-20-7-5-4-6-8-20)27(34)18-30-23-9-12-38-13-10-23/h4-8,16-17,19,23-24,30H,3,9-15,18H2,1-2H3,(H,31,35)/t24-/m0/s1
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| InChIKey |
FPIHGNRFSYHNCI-DEOSSOPVSA-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