General Information of the Compound
| Compound ID |
CP0125802
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| Compound Name |
(R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
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| Structure |
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| Formula |
C19H20N2O2
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| Molecular Weight |
308.381
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| Canonical SMILES |
O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
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| InChI |
InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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| InChIKey |
NPATVCXCHCPFCB-OAHLLOKOSA-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