General Information of the Compound
| Compound ID |
CP0552197
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| Compound Name |
(2S)-2-[3-(1-nonylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Structure |
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| Formula |
C24H35ClN6O
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| Molecular Weight |
459.038
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| Canonical SMILES |
Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N
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| InChI |
InChI=1S/C24H34N6O.ClH/c1-2-3-4-5-6-7-8-14-29-16-13-18-17-19(11-12-20(18)29)22-27-23(31-28-22)21-10-9-15-30(21)24(25)26;/h11-13,16-17,21H,2-10,14-15H2,1H3,(H3,25,26);1H/t21-;/m0./s1
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| InChIKey |
LOKVKOGTMPSITM-BOXHHOBZSA-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: PT01765, Sphingosine kinase 2