General Information of the Compound
| Compound ID |
CP0944914
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| Compound Name |
N-(4-((2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholino)-3-hydroxybutyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(O)CCNC(=O)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H29N5O3/c1-15-14-31-21(17-6-7-22(24)26-11-17)13-28(15)12-18(29)8-9-25-23(30)20-10-16-4-2-3-5-19(16)27-20/h2-7,10-11,15,18,21,27,29H,8-9,12-14H2,1H3,(H2,24,26)(H,25,30)/t15-,18?,21+/m0/s1
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| InChIKey |
QVJKSJKBVZSPPJ-LMONUYQQSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor