General Information of the Compound
| Compound ID |
CP0447952
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| Compound Name |
(10R)-10-(methylamino)-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carbonitrile
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| Structure |
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| Formula |
C12H12N4O
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| Molecular Weight |
228.255
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| Canonical SMILES |
CN[C@@H]1Cc2cc(cc3[nH]c(=O)n(C1)c23)C#N
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| InChI |
InChI=1S/C12H12N4O/c1-14-9-4-8-2-7(5-13)3-10-11(8)16(6-9)12(17)15-10/h2-3,9,14H,4,6H2,1H3,(H,15,17)/t9-/m1/s1
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| InChIKey |
FXPWIJUEEVCPAI-SECBINFHSA-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