General Information of the Compound
| Compound ID |
CP0501975
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| Compound Name |
benzyl 6-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]hexanoate
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| Structure |
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| Formula |
C31H39N3O4
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| Molecular Weight |
517.67
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| Canonical SMILES |
O=C(CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCc1ccccc1
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| InChI |
InChI=1S/C31H39N3O4/c35-28(38-23-25-10-3-1-4-11-25)14-5-2-8-17-33-19-15-24(16-20-33)22-32-30(36)29-26-12-6-7-13-27(26)34-18-9-21-37-31(29)34/h1,3-4,6-7,10-13,24H,2,5,8-9,14-23H2,(H,32,36)
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| InChIKey |
QQTDBAJKECZRPE-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