General Information of the Compound
| Compound ID |
CP0433153
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| Compound Name |
2-[[(3S)-3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]-6-fluorophenol
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| Structure |
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| Formula |
C21H30FN5O
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| Molecular Weight |
387.503
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| Canonical SMILES |
CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1
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| InChI |
InChI=1S/C21H30FN5O/c1-21(2,3)8-9-23-18-11-19(25-14-24-18)26-16-7-10-27(13-16)12-15-5-4-6-17(22)20(15)28/h4-6,11,14,16,28H,7-10,12-13H2,1-3H3,(H2,23,24,25,26)/t16-/m0/s1
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| InChIKey |
RBSBBGZWUIWZIJ-INIZCTEOSA-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