General Information of the Compound
| Compound ID |
CP0870247
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| Compound Name |
(3S)-1-(6-{1H-Pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-yl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C20H19N5
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| Molecular Weight |
329.407
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| Canonical SMILES |
N[C@H]1CCN(c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)C1
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| InChI |
InChI=1S/C20H19N5/c21-14-6-9-25(12-14)19-5-8-22-18-4-3-13(10-16(18)19)17-11-24-20-15(17)2-1-7-23-20/h1-5,7-8,10-11,14H,6,9,12,21H2,(H,23,24)/t14-/m0/s1
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| InChIKey |
NPTLBDQERMYULM-AWEZNQCLSA-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