General Information of the Compound
| Compound ID |
CP0240206
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| Compound Name |
N-[4-[methyl-[(10R)-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl]amino]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
CN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
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| InChI |
InChI=1S/C24H27N5O2/c1-28(18-13-17-8-6-10-20-22(17)29(15-18)24(31)27-20)12-5-4-11-25-23(30)21-14-16-7-2-3-9-19(16)26-21/h2-3,6-10,14,18,26H,4-5,11-13,15H2,1H3,(H,25,30)(H,27,31)/t18-/m1/s1
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| InChIKey |
XRUUSJMEKAKGQU-GOSISDBHSA-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
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay