General Information of the Compound
| Compound ID |
CP0862374
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| Compound Name |
Cyclohexanecarboxylic acid [2-pyridin-4-yl-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-7-yl]-amide
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| Structure |
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| Formula |
C22H26N6OS
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| Molecular Weight |
422.558
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| Canonical SMILES |
O=C(Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12)C1CCCCC1
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| InChI |
InChI=1S/C22H26N6OS/c29-22(15-4-2-1-3-5-15)26-17-13-30-19-18(17)27-20(14-6-9-23-10-7-14)28-21(19)25-16-8-11-24-12-16/h6-7,9-10,13,15-16,24H,1-5,8,11-12H2,(H,26,29)(H,25,27,28)/t16-/m1/s1
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| InChIKey |
IGLBOWLFLDJWMI-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