General Information of the Compound
| Compound ID |
CP0232302
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| Compound Name |
N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
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| InChIKey |
HSNDKUASWXMOHD-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