General Information of the Compound
| Compound ID |
CP0542624
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| Compound Name |
[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
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| Synonyms |
DPO-1
IKur blockers (atrial arrythmia), Merck & Co
Kv1.5 voltage-gated potassium channel antagonists (atrial arrythmia)
Kv1.5 voltage-gated potassium channel antagonists (atrial arrythmia), Merck & Co
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| Structure |
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| Formula |
C22H29OP
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| Molecular Weight |
340.447
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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| InChIKey |
BPCNGVCAHAIZEE-COPCDDAFSA-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
Clinical Information about the Compound