General Information of the Compound
| Compound ID |
CP0549991
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| Compound Name |
(2R)-2-[4-[[6-chloro-5-(cyclopropylmethoxy)indazol-2-yl]methyl]-1-oxophthalazin-2-yl]propanoic acid
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| Structure |
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| Formula |
C23H21ClN4O4
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| Molecular Weight |
452.898
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| Canonical SMILES |
C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H21ClN4O4/c1-13(23(30)31)28-22(29)17-5-3-2-4-16(17)20(26-28)11-27-10-15-8-21(32-12-14-6-7-14)18(24)9-19(15)25-27/h2-5,8-10,13-14H,6-7,11-12H2,1H3,(H,30,31)/t13-/m1/s1
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| InChIKey |
PMFUQAVMFHEJFO-CYBMUJFWSA-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: PT01837, Sphingosine 1-phosphate receptor 2