General Information of the Compound
| Compound ID |
CP0410962
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| Compound Name |
Clathrodin
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| Structure |
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| Formula |
C11H13N5O
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| Molecular Weight |
231.259
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| Canonical SMILES |
Nc1ncc(\C=C\CNC(=O)c2ccc[nH]2)[nH]1
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| InChI |
InChI=1S/C11H13N5O/c12-11-15-7-8(16-11)3-1-6-14-10(17)9-4-2-5-13-9/h1-5,7,13H,6H2,(H,14,17)(H3,12,15,16)/b3-1+
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| InChIKey |
PJKFCZYTTBYEHL-HNQUOIGGSA-N
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| CAS |
135383-64-1
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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: PT02933, Potassium voltage-gated channel subfamily A member 1
Protein ID: PT03487, Potassium voltage-gated channel subfamily A member 2
Protein ID: PT02298, Potassium voltage-gated channel subfamily A member 3
Protein ID: PT05924, Potassium voltage-gated channel subfamily A member 4
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Protein ID: PT04271, Potassium voltage-gated channel subfamily A member 6