General Information of the Compound
| Compound ID |
CP0388350
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| Compound Name |
(3S,4'R,6'R)-4'-(benzylamino)-4-bromo-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
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| Structure |
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| Formula |
C22H25BrN2O2
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| Molecular Weight |
429.358
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| Canonical SMILES |
CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1cccc(Br)c21)NCc1ccccc1
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| InChI |
InChI=1S/C22H25BrN2O2/c1-2-7-17-12-16(24-14-15-8-4-3-5-9-15)13-22(27-17)20-18(23)10-6-11-19(20)25-21(22)26/h3-6,8-11,16-17,24H,2,7,12-14H2,1H3,(H,25,26)/t16-,17-,22+/m1/s1
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| InChIKey |
CYKMIAHUQXPQDP-YVHKJVDXSA-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