General Information of the Compound
| Compound ID |
CP0914004
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| Compound Name |
1-Phenyl-3-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-urea
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| Structure |
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| Formula |
C22H21N7OS
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| Molecular Weight |
431.525
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C22H21N7OS/c30-22(26-15-4-2-1-3-5-15)28-18-12-14(6-10-24-18)20-27-17-8-11-31-19(17)21(29-20)25-16-7-9-23-13-16/h1-6,8,10-12,16,23H,7,9,13H2,(H,25,27,29)(H2,24,26,28,30)/t16-/m1/s1
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| InChIKey |
LJLOGWAJXZVNCF-MRXNPFEDSA-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