General Information of the Compound
| Compound ID |
CP0533328
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| Compound Name |
N-methyl-N-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H24N4
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| Molecular Weight |
284.407
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| Canonical SMILES |
C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C
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| InChI |
InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1
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| InChIKey |
RVXVIKRNUXPSPD-IPYPFGDCSA-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