General Information of the Compound
| Compound ID |
CP0942744
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| Compound Name |
(2S)-2-benzyl-7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C23H27NO4
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| Molecular Weight |
381.472
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| Canonical SMILES |
O=C1c2c(cccc2OC[C@H](O)CN2CCOCC2)C[C@@H]1Cc1ccccc1
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| InChI |
InChI=1S/C23H27NO4/c25-20(15-24-9-11-27-12-10-24)16-28-21-8-4-7-18-14-19(23(26)22(18)21)13-17-5-2-1-3-6-17/h1-8,19-20,25H,9-16H2/t19-,20+/m0/s1
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| InChIKey |
LJKVDKFNEQETJU-VQTJNVASSA-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