General Information of the Compound
| Compound ID |
CP0966768
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| Compound Name |
N-(3-((Z)-5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)propyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
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| Structure |
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| Formula |
C28H30N6O5S3
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| Molecular Weight |
626.786
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| Canonical SMILES |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
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| InChI |
InChI=1S/C28H30N6O5S3/c35-22(9-4-3-8-20-24-19(15-40-20)30-26(37)33-24)29-12-5-13-34-25(36)21(41-28(34)38)14-16-10-11-23(39-16)42-27-31-17-6-1-2-7-18(17)32-27/h1-2,6-7,10-11,14,19-20,24H,3-5,8-9,12-13,15H2,(H,29,35)(H,31,32)(H2,30,33,37)/b21-14-/t19-,20-,24-/m0/s1
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| InChIKey |
YHEZJDRNSJAKFT-WIQGMPOSSA-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