General Information of the Compound
| Compound ID |
CP0836435
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| Compound Name |
cis-4-{[1-(5-Cyanopyridin-2-yl)-3-methylpiperidin-4-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
C[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)cnc2[nH]ccc12
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| InChI |
InChI=1S/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/m0/s1
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| InChIKey |
CYKGBNVCNYNGDQ-BLLLJJGKSA-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