General Information of the Compound
| Compound ID |
CP0425726
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| Compound Name |
CHEMBL4795566
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| Formula |
C30H35NO3
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| Molecular Weight |
457.614
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| Canonical SMILES |
Cc1cc(O[C@H]2CC[C@@H](CC2)c2ccccc2)c(CN2CCC(CC2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C30H35NO3/c1-21-19-29(34-25-13-11-23(12-14-25)22-7-3-2-4-8-22)28(27-10-6-5-9-26(21)27)20-31-17-15-24(16-18-31)30(32)33/h2-10,19,23-25H,11-18,20H2,1H3,(H,32,33)/t23-,25-
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| InChIKey |
FCIMGVBDXURIPW-ALOJWSFFSA-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5