General Information of the Compound
| Compound ID |
CP0469987
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| Compound Name |
US9181182, 9
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| Structure |
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| Formula |
C21H36N2O2
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| Molecular Weight |
348.531
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| Canonical SMILES |
CCCCCCCCc1ccc2N(CC(N)(CO)CO)CCCc2c1
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| InChI |
InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-9-18-11-12-20-19(14-18)10-8-13-23(20)15-21(22,16-24)17-25/h11-12,14,24-25H,2-10,13,15-17,22H2,1H3
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| InChIKey |
OQLDBWHCEASUAB-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