General Information of the Compound
| Compound ID |
CP0488555
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| Compound Name |
(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide
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| Structure |
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| Formula |
C18H29N3O2
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| Molecular Weight |
319.449
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| Canonical SMILES |
C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
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| InChI |
InChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
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| InChIKey |
WMVDPHRVWOFAIP-HNNXBMFYSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor