General Information of the Compound
| Compound ID |
CP0508464
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| Compound Name |
N-[4-[(10R)-2-oxo-10-(propylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
CCCN[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C26H31N5O2/c1-2-12-27-20-15-19-9-7-11-23-24(19)31(17-20)26(33)30(23)14-6-5-13-28-25(32)22-16-18-8-3-4-10-21(18)29-22/h3-4,7-11,16,20,27,29H,2,5-6,12-15,17H2,1H3,(H,28,32)/t20-/m1/s1
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| InChIKey |
YDESBRPNQFQEGA-HXUWFJFHSA-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