General Information of the Compound
| Compound ID |
CP0944027
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| Compound Name |
SID131460812
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| Structure |
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| Formula |
C26H37N3O2
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| Molecular Weight |
423.601
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| Canonical SMILES |
CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO
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| InChI |
InChI=1S/C26H37N3O2/c1-28-23-13-12-19(18-8-4-2-5-9-18)16-22(23)25-21(24(28)17-30)14-15-29(25)26(31)27-20-10-6-3-7-11-20/h8,12-13,16,20-21,24-25,30H,2-7,9-11,14-15,17H2,1H3,(H,27,31)/t21-,24+,25-/m1/s1
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| InChIKey |
NWRPOEUPEYKEEP-IEZKXTBUSA-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