General Information of the Compound
| Compound ID |
CP0893932
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| Compound Name |
{4-[3-((8R,9R)-7,7-Dibutyl-2-dimethylamino-8-hydroxy-6-methyl-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenylcarbamoyl]-butyl}-triethyl-ammonium bromide
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| Structure |
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| Formula |
C37H61BrN4O4S
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| Molecular Weight |
737.89
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCCC[N+](CC)(CC)CC)c2)c2cc(N(C)C)ccc2S(=O)(=O)N1C.[Br-]
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| InChI |
InChI=1S/C37H60N4O4S.BrH/c1-9-14-24-37(25-15-10-2)36(43)35(32-28-31(39(6)7)22-23-33(32)46(44,45)40(37)8)29-19-18-20-30(27-29)38-34(42)21-16-17-26-41(11-3,12-4)13-5;/h18-20,22-23,27-28,35-36,43H,9-17,21,24-26H2,1-8H3;1H/t35-,36-;/m1./s1
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| InChIKey |
XUGYZAJSZNGLGP-OZBLHQGLSA-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