General Information of the Compound
| Compound ID |
CP0466658
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| Compound Name |
(3S,4'R,6'R)-4'-(benzylamino)-1-methyl-6'-propylspiro[indole-3,2'-oxane]-2-one
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| Structure |
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| Formula |
C23H28N2O2
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| Molecular Weight |
364.489
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| Canonical SMILES |
CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1ccccc21)NCc1ccccc1
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| InChI |
InChI=1S/C23H28N2O2/c1-3-9-19-14-18(24-16-17-10-5-4-6-11-17)15-23(27-19)20-12-7-8-13-21(20)25(2)22(23)26/h4-8,10-13,18-19,24H,3,9,14-16H2,1-2H3/t18-,19-,23+/m1/s1
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| InChIKey |
XUHVBOWTOMUDBL-PWHSHALESA-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