General Information of the Compound
| Compound ID |
CP0849214
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| Compound Name |
Naphthalene-2-carboxylic acid 2-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-benzylamide oxalic acid
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| Structure |
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| Formula |
C32H33N3O6
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| Molecular Weight |
555.631
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C30H31N3O2.C2H2O4/c1-35-29-13-7-6-12-28(29)33-18-16-32(17-19-33)22-27-11-5-4-10-26(27)21-31-30(34)25-15-14-23-8-2-3-9-24(23)20-25;3-1(4)2(5)6/h2-15,20H,16-19,21-22H2,1H3,(H,31,34);(H,3,4)(H,5,6)
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| InChIKey |
KCOSUGXOVNKXMQ-UHFFFAOYSA-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