General Information of the Compound
| Compound ID |
CP0433900
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| Compound Name |
4-[(3S)-3-aminopyrrolidin-1-yl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C16H17FN6
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| Molecular Weight |
312.352
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| Canonical SMILES |
N[C@H]1CCN(C1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C16H17FN6/c17-10-3-1-9(2-4-10)13-7-12-14(20-13)21-16(19)22-15(12)23-6-5-11(18)8-23/h1-4,7,11H,5-6,8,18H2,(H3,19,20,21,22)/t11-/m0/s1
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| InChIKey |
PEQLQRNUKZZPNP-NSHDSACASA-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