General Information of the Compound
| Compound ID |
CP0380743
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| Compound Name |
(3S,4'R,6'R)-4'-(benzylamino)-4-bromo-1-methyl-6'-propylspiro[indole-3,2'-oxane]-2-one
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| Structure |
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| Formula |
C23H27BrN2O2
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| Molecular Weight |
443.385
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| Canonical SMILES |
CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1
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| InChI |
InChI=1S/C23H27BrN2O2/c1-3-8-18-13-17(25-15-16-9-5-4-6-10-16)14-23(28-18)21-19(24)11-7-12-20(21)26(2)22(23)27/h4-7,9-12,17-18,25H,3,8,13-15H2,1-2H3/t17-,18-,23+/m1/s1
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| InChIKey |
AQUXMTHQBTYXOM-PNCHPQGNSA-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