General Information of the Compound
| Compound ID |
CP0432569
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| Compound Name |
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-[(4-phenoxyphenyl)carbamoylamino]benzamide
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| Structure |
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| Formula |
C33H35N5O3
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| Molecular Weight |
549.675
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(cc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C33H35N5O3/c39-32(34-19-20-37-21-23-38(24-22-37)25-26-7-3-1-4-8-26)27-11-13-28(14-12-27)35-33(40)36-29-15-17-31(18-16-29)41-30-9-5-2-6-10-30/h1-18H,19-25H2,(H,34,39)(H2,35,36,40)
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| InChIKey |
LAKDRQOGCMXZBD-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT02767, Melanin-concentrating hormone receptor 2