General Information of the Compound
| Compound ID |
CP0415286
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| Compound Name |
6-((cyclopropylmethyl)(propyl)amino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C19H22N6O
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| Molecular Weight |
350.426
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| Canonical SMILES |
CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26)
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| InChIKey |
HAKUBDUVAGUCGC-UHFFFAOYSA-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5