General Information of the Compound
| Compound ID |
CP0906845
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| Compound Name |
N-(1-Carbamimidoylcyclopropyl)-4-(7-(cyclopentylmethoxy)heptyl)benzamide Hydrochloride
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| Structure |
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| Formula |
C24H38ClN3O2
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| Molecular Weight |
436.04
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| Canonical SMILES |
Cl.N=C(N)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCC3)cc2)CC1
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| InChI |
InChI=1S/C24H37N3O2.ClH/c25-23(26)24(15-16-24)27-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-29-18-20-9-5-6-10-20;/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28);1H
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| InChIKey |
WRLQJSYEZACZRV-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