General Information of the Compound
| Compound ID |
CP0575205
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| Compound Name |
US10513518, Example 19
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| Structure |
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| Formula |
C25H30N2O5
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| Molecular Weight |
438.524
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| Canonical SMILES |
CC1=C(CCC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
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| InChI |
InChI=1S/C25H30N2O5/c1-15-17(3-4-18-19(15)14-32-23(18)30)22(29)13-26-10-7-25(8-11-26)9-12-27(24(25)31)20-5-6-21(28)16(20)2/h3-4,22,29H,5-14H2,1-2H3/t22-/m0/s1
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| InChIKey |
PGWBLSDFIPRYII-QFIPXVFZSA-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