General Information of the Compound
| Compound ID |
CP0906718
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| Compound Name |
((1R,3S)-1-amino-3-(2-(butylamino)-4,5-dihydronaphtho[2,1-d]thiazol-7-yl)cyclopentyl)methyl dihydrogen phosphate
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| Structure |
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| Formula |
C21H30N3O4PS
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| Molecular Weight |
451.529
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| Canonical SMILES |
CCCCNc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2
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| InChI |
InChI=1S/C21H30N3O4PS/c1-2-3-10-23-20-24-18-7-5-15-11-14(4-6-17(15)19(18)30-20)16-8-9-21(22,12-16)13-28-29(25,26)27/h4,6,11,16H,2-3,5,7-10,12-13,22H2,1H3,(H,23,24)(H2,25,26,27)/t16-,21+/m0/s1
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| InChIKey |
KXHZLKDBIALTMO-HRAATJIYSA-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3