General Information of the Compound
| Compound ID |
CP0493834
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| Compound Name |
2-(2,4-dimethylphenyl)-5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]triazole-4-carboxamide
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| Structure |
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| Formula |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccc(C)cc1C
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| InChI |
InChI=1S/C26H32N6O2/c1-17-8-9-22(18(2)14-17)32-28-19(3)25(29-32)26(33)27-20-15-21-23(6-5-7-24(21)34-16-20)31-12-10-30(4)11-13-31/h5-9,14,20H,10-13,15-16H2,1-4H3,(H,27,33)/t20-/m0/s1
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| InChIKey |
OSYIFZXDCWRTND-FQEVSTJZSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha