General Information of the Compound
| Compound ID |
CP0865126
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| Compound Name |
SID87541116
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| Structure |
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| Formula |
C32H42ClN3O8S3
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| Molecular Weight |
728.355
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O
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| InChI |
InChI=1S/C32H42ClN3O8S3/c1-22-19-36(23(2)21-37)32(38)28-18-26(34-46(39,40)27-13-10-25(33)11-14-27)12-15-29(28)44-24(3)8-5-6-16-43-30(22)20-35(4)47(41,42)31-9-7-17-45-31/h7,9-15,17-18,22-24,30,34,37H,5-6,8,16,19-21H2,1-4H3/t22-,23+,24-,30+/m0/s1
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| InChIKey |
PKDFAVNHBNYLMY-WUBQMYJQSA-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