General Information of the Compound
| Compound ID |
CP0501974
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| Compound Name |
2-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]acetic acid
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| Structure |
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| Formula |
C20H25N3O4
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| Molecular Weight |
371.437
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| Canonical SMILES |
OC(=O)CN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C20H25N3O4/c24-17(25)13-22-9-6-14(7-10-22)12-21-19(26)18-15-4-1-2-5-16(15)23-8-3-11-27-20(18)23/h1-2,4-5,14H,3,6-13H2,(H,21,26)(H,24,25)
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| InChIKey |
CQQGZORMCSTHHL-UHFFFAOYSA-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