General Information of the Compound
| Compound ID |
CP0463698
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| Compound Name |
N-[4-[methyl-[(10R)-2-oxo-3-propyl-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 |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
CCCn1c2cccc3C[C@H](Cn(c23)c1=O)N(C)CCCCNC(=O)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H33N5O2/c1-3-14-31-24-12-8-10-20-16-21(18-32(25(20)24)27(31)34)30(2)15-7-6-13-28-26(33)23-17-19-9-4-5-11-22(19)29-23/h4-5,8-12,17,21,29H,3,6-7,13-16,18H2,1-2H3,(H,28,33)/t21-/m1/s1
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| InChIKey |
KRNPJKNJUZRFIL-OAQYLSRUSA-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