General Information of the Compound
| Compound ID |
CP0478574
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| Compound Name |
12-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]dodecanoic acid
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| Structure |
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| Formula |
C30H45N3O4
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| Molecular Weight |
511.707
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| Canonical SMILES |
OC(=O)CCCCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C30H45N3O4/c34-27(35)15-8-6-4-2-1-3-5-7-11-18-32-20-16-24(17-21-32)23-31-29(36)28-25-13-9-10-14-26(25)33-19-12-22-37-30(28)33/h9-10,13-14,24H,1-8,11-12,15-23H2,(H,31,36)(H,34,35)
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| InChIKey |
KXUGRQCCNBSCEI-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