General Information of the Compound
| Compound ID |
CP0468283
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| Compound Name |
(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one
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| Structure |
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| Formula |
C19H26N2O2
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| Molecular Weight |
314.429
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| Canonical SMILES |
CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)N1CCCC1
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| InChI |
InChI=1S/C19H26N2O2/c1-2-7-15-12-14(21-10-5-6-11-21)13-19(23-15)16-8-3-4-9-17(16)20-18(19)22/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,20,22)/t14-,15-,19+/m1/s1
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| InChIKey |
SKFGYXYGUMJGPU-CLCXKQKWSA-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