General Information of the Compound
| Compound ID |
CP0115847
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| Compound Name |
(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
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| Structure |
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| Formula |
C14H23N5O
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| Molecular Weight |
277.372
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| Canonical SMILES |
CN[C@H]1CN(C[C@@H]1O)c1cc(nc(N)n1)C1CCCC1
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| InChI |
InChI=1S/C14H23N5O/c1-16-11-7-19(8-12(11)20)13-6-10(17-14(15)18-13)9-4-2-3-5-9/h6,9,11-12,16,20H,2-5,7-8H2,1H3,(H2,15,17,18)/t11-,12-/m0/s1
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| InChIKey |
ADNLUQHYCDGVML-RYUDHWBXSA-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