General Information of the Compound
| Compound ID |
CP0403563
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| Compound Name |
(S)-8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-chromeno[7,8-d]imidazol-2-one
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| Structure |
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| Formula |
C18H19N3O2
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| Molecular Weight |
309.369
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| Canonical SMILES |
O=c1[nH]c2ccc3CC[C@@H](CNCc4ccccc4)Oc3c2[nH]1
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| InChI |
InChI=1S/C18H19N3O2/c22-18-20-15-9-7-13-6-8-14(23-17(13)16(15)21-18)11-19-10-12-4-2-1-3-5-12/h1-5,7,9,14,19H,6,8,10-11H2,(H2,20,21,22)/t14-/m0/s1
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| InChIKey |
NJDDOYGAHXQMEQ-AWEZNQCLSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor