General Information of the Compound
| Compound ID |
CP0564259
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| Compound Name |
4-acetamido-N-benzyl-2-[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]butanamide
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| Formula |
C32H37N3O2
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| Molecular Weight |
495.667
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| Canonical SMILES |
CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCNC(C)=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C32H37N3O2/c1-24(36)33-21-20-31(32(37)34-23-25-11-4-3-5-12-25)35(2)22-10-17-30-28-15-8-6-13-26(28)18-19-27-14-7-9-16-29(27)30/h3-9,11-17,31H,10,18-23H2,1-2H3,(H,33,36)(H,34,37)
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| InChIKey |
NYDLRBQGJMHNAC-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3