General Information of the Compound
| Compound ID |
CP0946743
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| Compound Name |
4-((2-((4-(3-(Dimethylamino)propoxy)benzyl)(methyl)amino)benzo[d]thiazol-6-yl)oxy)benzonitrile trifluoroacetate
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| Structure |
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| Formula |
C29H29F3N4O4S
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| Molecular Weight |
586.636
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(C#N)cc4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H28N4O2S.C2HF3O2/c1-30(2)15-4-16-32-22-9-7-21(8-10-22)19-31(3)27-29-25-14-13-24(17-26(25)34-27)33-23-11-5-20(18-28)6-12-23;3-2(4,5)1(6)7/h5-14,17H,4,15-16,19H2,1-3H3;(H,6,7)
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| InChIKey |
RIDINCNYNSEPRT-UHFFFAOYSA-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: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H