General Information of the Compound
| Compound ID |
CP0010753
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| Compound Name |
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
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| Structure |
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| Formula |
C21H32Cl2N4O3
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| Molecular Weight |
459.418
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| Canonical SMILES |
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
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| InChI |
InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30)
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| InChIKey |
RAZOFRCGTLUGNK-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: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H