General Information of the Compound
| Compound ID |
CP0914942
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| Compound Name |
(2-{2-[5-(4-Methyl-piperazin-1-yl)-pyridin-2-ylamino]-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 |
C25H29N9S
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| Molecular Weight |
487.637
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| Canonical SMILES |
CN1CCN(c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)nc2)CC1
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| InChI |
InChI=1S/C25H29N9S/c1-33-9-11-34(12-10-33)19-2-3-21(28-16-19)31-22-14-17(4-8-27-22)24-30-20-6-13-35-23(20)25(32-24)29-18-5-7-26-15-18/h2-4,6,8,13-14,16,18,26H,5,7,9-12,15H2,1H3,(H,27,28,31)(H,29,30,32)/t18-/m1/s1
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| InChIKey |
PHUUEVDLBFUJFT-GOSISDBHSA-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