General Information of the Compound
| Compound ID |
CP0393853
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| Compound Name |
N-[4-[[(10R)-2-oxo-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl]-propylamino]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C29H37N5O2
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| Molecular Weight |
487.648
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23
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| InChI |
InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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| InChIKey |
HHDJZPNFXJLNJK-HSZRJFAPSA-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