General Information of the Compound
| Compound ID |
CP0046583
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| Compound Name |
6-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]hexanoic acid
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| Structure |
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| Formula |
C24H33N3O4
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| Molecular Weight |
427.545
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| Canonical SMILES |
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C24H33N3O4/c28-21(29)9-2-1-5-12-26-14-10-18(11-15-26)17-25-23(30)22-19-7-3-4-8-20(19)27-13-6-16-31-24(22)27/h3-4,7-8,18H,1-2,5-6,9-17H2,(H,25,30)(H,28,29)
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| InChIKey |
ODMLUIATXKBXOW-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