General Information of the Compound
| Compound ID |
CP0329617
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| Compound Name |
ethyl (3S,4S)-4-[4-(dimethylamino)phenyl]-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]piperidine-3-carboxylate
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C26H32N4O4/c1-4-34-25(32)22-17-29(14-13-20(22)18-9-11-19(12-10-18)28(2)3)15-16-30-24(31)21-7-5-6-8-23(21)27-26(30)33/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,33)/t20-,22-/m1/s1
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| InChIKey |
USBVMSPWPIHEDS-IFMALSPDSA-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