General Information of the Compound
| Compound ID |
CP0547096
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| Compound Name |
US10513518, Example 11
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)CC3)C2=O)CC1
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| InChI |
InChI=1S/C24H28N2O5/c1-15-18(4-5-19-20(15)14-31-22(19)29)21(28)13-25-9-6-24(7-10-25)8-11-26(23(24)30)16-2-3-17(27)12-16/h4-5,12,21,28H,2-3,6-11,13-14H2,1H3/t21-/m0/s1
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| InChIKey |
OKLZGZLAIKNUEF-NRFANRHFSA-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
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2