General Information of the Compound
| Compound ID |
CP0380745
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| Compound Name |
(3S,4'R,6'R)-1-benzyl-4'-(benzylamino)-6'-propylspiro[indole-3,2'-oxane]-2-one
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| Structure |
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| Formula |
C29H32N2O2
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| Molecular Weight |
440.587
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| Canonical SMILES |
CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1
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| InChI |
InChI=1S/C29H32N2O2/c1-2-11-25-18-24(30-20-22-12-5-3-6-13-22)19-29(33-25)26-16-9-10-17-27(26)31(28(29)32)21-23-14-7-4-8-15-23/h3-10,12-17,24-25,30H,2,11,18-21H2,1H3/t24-,25-,29+/m1/s1
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| InChIKey |
SNUNOEILOVKZKM-MIHVYDCKSA-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