General Information of the Compound
| Compound ID |
CP0916146
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| Compound Name |
2-(6-Methoxy-naphthalen-2-yl)-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-propionamide oxalic acid
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| Structure |
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| Formula |
C30H37N3O7
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| Molecular Weight |
551.64
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| Canonical SMILES |
COc1ccc2cc([C@H](C)C(=O)NCCCN3CCN(c4ccccc4OC)CC3)ccc2c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C28H35N3O3.C2H2O4/c1-21(22-9-10-24-20-25(33-2)12-11-23(24)19-22)28(32)29-13-6-14-30-15-17-31(18-16-30)26-7-4-5-8-27(26)34-3;3-1(4)2(5)6/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,29,32);(H,3,4)(H,5,6)/t21-;/m0./s1
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| InChIKey |
XMTZXXGGLDZXRN-BOXHHOBZSA-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