General Information of the Compound
| Compound ID |
CP0906846
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| Compound Name |
(S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-carboximidamide hydrochloride
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| Structure |
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| Formula |
C27H44ClN3O
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| Molecular Weight |
462.122
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| Canonical SMILES |
Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1
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| InChI |
InChI=1S/C27H43N3O.ClH/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22;/h17-20,22,25H,1-16,21H2,(H3,28,29);1H/t25-;/m0./s1
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| InChIKey |
FOMDCYKVSBQNKN-UQIIZPHYSA-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