General Information of the Compound
| Compound ID |
CP0952717
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| Compound Name |
(R)-Pyrrolidin-3-yl-{2-[2-(4-pyrrolidin-1-ylmethyl-phenylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-amine
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| Structure |
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| Formula |
C26H29N7S
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| Molecular Weight |
471.634
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(CN3CCCC3)cc2)n1
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| InChI |
InChI=1S/C26H29N7S/c1-2-13-33(12-1)17-18-3-5-20(6-4-18)29-23-15-19(7-11-28-23)25-31-22-9-14-34-24(22)26(32-25)30-21-8-10-27-16-21/h3-7,9,11,14-15,21,27H,1-2,8,10,12-13,16-17H2,(H,28,29)(H,30,31,32)/t21-/m1/s1
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| InChIKey |
DUWDBYDLGXYJED-OAQYLSRUSA-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