General Information of the Compound
| Compound ID |
CP0452532
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| Compound Name |
(12R)-5-amino-11-methyl-6-thia-4,11-diazapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),4,8(20),14(19),15,17-heptaene-17,18-diol
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| Structure |
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| Formula |
C18H17N3O2S
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| Molecular Weight |
339.42
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| Canonical SMILES |
CN1CCc2c3[C@H]1Cc1ccc(O)c(O)c1-c3cc1nc(N)sc21
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| InChI |
InChI=1S/C18H17N3O2S/c1-21-5-4-9-15-10(7-11-17(9)24-18(19)20-11)14-8(6-12(15)21)2-3-13(22)16(14)23/h2-3,7,12,22-23H,4-6H2,1H3,(H2,19,20)/t12-/m1/s1
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| InChIKey |
GEGIIDSRIPIFFT-GFCCVEGCSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor