General Information of the Compound
| Compound ID |
CP0854668
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| Compound Name |
N-(4-(3-(Dimethylamino)propoxy)benzyl)-N-methyl-6-(4-(trifluoromethyl)phenoxy)benzo[d]thiazol-2-amine trifluoroacetate
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| Structure |
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| Formula |
C29H29F6N3O4S
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| Molecular Weight |
629.623
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N3O2S.C2HF3O2/c1-32(2)15-4-16-34-21-9-5-19(6-10-21)18-33(3)26-31-24-14-13-23(17-25(24)36-26)35-22-11-7-20(8-12-22)27(28,29)30;3-2(4,5)1(6)7/h5-14,17H,4,15-16,18H2,1-3H3;(H,6,7)
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| InChIKey |
XUYPNSGJENHGKL-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