General Information of the Compound
| Compound ID |
CP0920817
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| Compound Name |
1-carbamimidoyl-N-(4-(8-phenyloctyl)phenyl)cyclopropanecarboxamide hydrochloride
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| Structure |
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| Formula |
C25H34ClN3O
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| Molecular Weight |
428.02
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)Nc2ccc(CCCCCCCCc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C25H33N3O.ClH/c26-23(27)25(18-19-25)24(29)28-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20;/h5,8-9,11-12,14-17H,1-4,6-7,10,13,18-19H2,(H3,26,27)(H,28,29);1H
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| InChIKey |
DYMNRRDHZKLJBC-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