General Information of the Compound
| Compound ID |
CP0411772
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| Compound Name |
methyl 10-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]decanoate
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| Structure |
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| Formula |
C29H43N3O4
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| Molecular Weight |
497.68
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| Canonical SMILES |
COC(=O)CCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C29H43N3O4/c1-35-26(33)14-7-5-3-2-4-6-10-17-31-19-15-23(16-20-31)22-30-28(34)27-24-12-8-9-13-25(24)32-18-11-21-36-29(27)32/h8-9,12-13,23H,2-7,10-11,14-22H2,1H3,(H,30,34)
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| InChIKey |
SUFGGMJIRAJBTI-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