General Information of the Compound
| Compound ID |
CP0501976
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| Compound Name |
methyl 12-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]dodecanoate
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| Structure |
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| Formula |
C31H47N3O4
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| Molecular Weight |
525.734
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| Canonical SMILES |
COC(=O)CCCCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C31H47N3O4/c1-37-28(35)16-9-7-5-3-2-4-6-8-12-19-33-21-17-25(18-22-33)24-32-30(36)29-26-14-10-11-15-27(26)34-20-13-23-38-31(29)34/h10-11,14-15,25H,2-9,12-13,16-24H2,1H3,(H,32,36)
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| InChIKey |
LSBAOGBIAIEROK-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