General Information of the Compound
| Compound ID |
CP0918248
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| Compound Name |
{2-[2-((R)-1-Phenyl-propylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C24H26N6S
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| Molecular Weight |
430.581
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| Canonical SMILES |
CC[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1
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| InChI |
InChI=1S/C24H26N6S/c1-2-19(16-6-4-3-5-7-16)28-21-14-17(8-12-26-21)23-29-20-10-13-31-22(20)24(30-23)27-18-9-11-25-15-18/h3-8,10,12-14,18-19,25H,2,9,11,15H2,1H3,(H,26,28)(H,27,29,30)/t18-,19-/m1/s1
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| InChIKey |
KBFQPRXCRFSETO-RTBURBONSA-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