General Information of the Compound
| Compound ID |
CP0845156
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| Compound Name |
N-(4-(7-((Adamantan-1-ylmethoxy)heptyl)phenyl)-1-carbamimidoylcyclopropanecarboxamide Hydrochloride
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| Structure |
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| Formula |
C29H44ClN3O2
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| Molecular Weight |
502.143
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)Nc2ccc(CCCCCCCOCC34CC5CC(CC(C5)C3)C4)cc2)CC1
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| InChI |
InChI=1S/C29H43N3O2.ClH/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28;/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33);1H
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| InChIKey |
FDTDFEOQPURIPG-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: PT01766, Sphingosine kinase 1
Protein ID: PT03502, Sphingosine kinase 2