General Information of the Compound
Compound ID |
CP0411770
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Compound Name |
tert-butyl 4-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]butanoate
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Structure |
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Formula |
C26H37N3O4
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Molecular Weight |
455.599
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Canonical SMILES |
CC(C)(C)OC(=O)CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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InChI |
InChI=1S/C26H37N3O4/c1-26(2,3)33-22(30)10-6-13-28-15-11-19(12-16-28)18-27-24(31)23-20-8-4-5-9-21(20)29-14-7-17-32-25(23)29/h4-5,8-9,19H,6-7,10-18H2,1-3H3,(H,27,31)
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InChIKey |
QFCWGKYRLYQECX-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