General Information of the Compound
| Compound ID |
CP0382695
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| Compound Name |
N-[4-[(2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
C[C@H]1CO[C@H](CN1CCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(N)nc1
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| InChI |
InChI=1S/C23H29N5O2/c1-16-15-30-21(18-8-9-22(24)26-13-18)14-28(16)11-5-4-10-25-23(29)20-12-17-6-2-3-7-19(17)27-20/h2-3,6-9,12-13,16,21,27H,4-5,10-11,14-15H2,1H3,(H2,24,26)(H,25,29)/t16-,21+/m0/s1
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| InChIKey |
CTDCQQXDSZWWIE-HRAATJIYSA-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
Protein ID: PT01161, D(4) dopamine receptor