General Information of the Compound
| Compound ID |
CP0520306
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| Compound Name |
5-Bromo-pentanoic acid [3-((8R,9R)-7,7-dibutyl-2-dimethylamino-8-hydroxy-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenyl]-amide
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| Structure |
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| Formula |
C30H44BrN3O4S
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| Molecular Weight |
622.67
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| Canonical SMILES |
CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCCBr)c1)N(C)C
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| InChI |
InChI=1S/C30H44BrN3O4S/c1-5-7-17-30(18-8-6-2)29(36)28(22-12-11-13-23(20-22)32-27(35)14-9-10-19-31)25-21-24(34(3)4)15-16-26(25)39(37,38)33-30/h11-13,15-16,20-21,28-29,33,36H,5-10,14,17-19H2,1-4H3,(H,32,35)/t28-,29-/m1/s1
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| InChIKey |
OBLAERGBIUYKNO-FQLXRVMXSA-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