General Information of the Compound
| Compound ID |
CP0089117
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| Compound Name |
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C13H23N5
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| Molecular Weight |
249.362
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| Canonical SMILES |
CCCCNc1nccc(n1)N1CC[C@H](C1)NC
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| InChI |
InChI=1S/C13H23N5/c1-3-4-7-15-13-16-8-5-12(17-13)18-9-6-11(10-18)14-2/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3,(H,15,16,17)/t11-/m1/s1
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| InChIKey |
FMAHIXYZGXPWMZ-LLVKDONJSA-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