General Information of the Compound
| Compound ID |
CP0380747
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| Compound Name |
(3S,6'R)-4-bromo-1-methyl-6'-propylspiro[indole-3,2'-oxane]-2,4'-dione
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| Structure |
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| Formula |
C16H18BrNO3
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| Molecular Weight |
352.228
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| Canonical SMILES |
CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21
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| InChI |
InChI=1S/C16H18BrNO3/c1-3-5-11-8-10(19)9-16(21-11)14-12(17)6-4-7-13(14)18(2)15(16)20/h4,6-7,11H,3,5,8-9H2,1-2H3/t11-,16+/m1/s1
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| InChIKey |
BDTWMVDSGXDQBF-BZNIZROVSA-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
Protein ID: PT06252, Sterol O-acyltransferase 1
Protein ID: PT06253, Sterol O-acyltransferase 2