General Information of the Compound
| Compound ID |
CP0854556
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| Compound Name |
N-(4-(3-Aminopropoxy)benzyl)-N-methyl-6-phenoxybenzothiazol-2-amine trifluoroacetate
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| Structure |
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| Formula |
C26H26F3N3O4S
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| Molecular Weight |
533.572
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| Canonical SMILES |
CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccccc3)cc2s1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H25N3O2S.C2HF3O2/c1-27(17-18-8-10-19(11-9-18)28-15-5-14-25)24-26-22-13-12-21(16-23(22)30-24)29-20-6-3-2-4-7-20;3-2(4,5)1(6)7/h2-4,6-13,16H,5,14-15,17,25H2,1H3;(H,6,7)
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| InChIKey |
GHTNCGYGPHBEFH-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