General Information of the Compound
| Compound ID |
CP0329619
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| Compound Name |
ethyl (3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]piperidine-3-carboxylate
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| Structure |
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| Formula |
C26H29N3O6
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| Molecular Weight |
479.533
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| Canonical SMILES |
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc2OCCOc12
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| InChI |
InChI=1S/C26H29N3O6/c1-2-33-25(31)20-16-28(11-10-17(20)18-7-5-9-22-23(18)35-15-14-34-22)12-13-29-24(30)19-6-3-4-8-21(19)27-26(29)32/h3-9,17,20H,2,10-16H2,1H3,(H,27,32)/t17-,20-/m1/s1
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| InChIKey |
NNVKSALIQZOGHN-YLJYHZDGSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01929, Synaptic vesicular amine transporter