General Information of the Compound
| Compound ID |
CP0501973
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| Compound Name |
3-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
OC(=O)CCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C21H27N3O4/c25-18(26)8-12-23-10-6-15(7-11-23)14-22-20(27)19-16-4-1-2-5-17(16)24-9-3-13-28-21(19)24/h1-2,4-5,15H,3,6-14H2,(H,22,27)(H,25,26)
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| InChIKey |
RLJUUWQXPYKPSF-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