General Information of the Compound
Compound ID |
CP0382607
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Compound Name |
4-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]butanoic acid
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Structure |
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Formula |
C22H29N3O4
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Molecular Weight |
399.491
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Canonical SMILES |
OC(=O)CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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InChI |
InChI=1S/C22H29N3O4/c26-19(27)7-3-10-24-12-8-16(9-13-24)15-23-21(28)20-17-5-1-2-6-18(17)25-11-4-14-29-22(20)25/h1-2,5-6,16H,3-4,7-15H2,(H,23,28)(H,26,27)
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InChIKey |
IAPWTUAPWADMCH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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