General Information of the Compound
| Compound ID |
CP0780228
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| Compound Name |
2-Ethyl-7,7-dioxo-7,8,9,10-tetrahydro-6H-7lambda*6*-thia-6,10a-diaza-cycloocta[cd]indene-4-carboxylic acid[(1S,2R)-1-benzyl-2-hydroxy-3-(4-methoxy-phenylamino)-propyl]-amide
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| Structure |
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| Formula |
C31H36N4O5S
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| Molecular Weight |
576.719
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| Canonical SMILES |
CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNc4ccc(OC)cc4)cc13)NS(=O)(=O)CCC2
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| InChI |
InChI=1S/C31H36N4O5S/c1-3-22-20-35-14-7-15-41(38,39)34-28-18-23(17-26(22)30(28)35)31(37)33-27(16-21-8-5-4-6-9-21)29(36)19-32-24-10-12-25(40-2)13-11-24/h4-6,8-13,17-18,20,27,29,32,34,36H,3,7,14-16,19H2,1-2H3,(H,33,37)/t27-,29+/m0/s1
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| InChIKey |
PZOWVJSFRDNGMG-LMSSTIIKSA-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