General Information of the Compound
| Compound ID |
CP0499825
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| Compound Name |
US9181182, 23
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| Structure |
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| Formula |
C22H35NO3
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| Molecular Weight |
361.526
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| Canonical SMILES |
CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2
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| InChI |
InChI=1S/C22H35NO3/c1-21(2)18-6-5-17(20(21)13-18)10-12-26-19-7-3-16(4-8-19)9-11-22(23,14-24)15-25/h3-4,7-8,17-18,20,24-25H,5-6,9-15,23H2,1-2H3
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| InChIKey |
KSDMRGWEFNUMPG-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