General Information of the Compound
| Compound ID |
CP0850724
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| Compound Name |
Piperidine-1-carboxylic acid{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
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| Structure |
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| Formula |
C21H25N7OS
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| Molecular Weight |
423.546
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| Canonical SMILES |
O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)N1CCCCC1
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| InChI |
InChI=1S/C21H25N7OS/c29-21(28-9-2-1-3-10-28)26-17-12-14(4-8-23-17)19-25-16-6-11-30-18(16)20(27-19)24-15-5-7-22-13-15/h4,6,8,11-12,15,22H,1-3,5,7,9-10,13H2,(H,23,26,29)(H,24,25,27)/t15-/m1/s1
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| InChIKey |
BAURNXZPKNTKMU-OAHLLOKOSA-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