General Information of the Compound
| Compound ID |
CP0967926
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| Compound Name |
[2-(1H-Pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C17H20N6S
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| Molecular Weight |
340.456
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| Canonical SMILES |
c1n[nH]cc1-c1nc(N[C@@H]2CCNC2)c2c3c(sc2n1)CCCC3
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| InChI |
InChI=1S/C17H20N6S/c1-2-4-13-12(3-1)14-16(21-11-5-6-18-9-11)22-15(23-17(14)24-13)10-7-19-20-8-10/h7-8,11,18H,1-6,9H2,(H,19,20)(H,21,22,23)/t11-/m1/s1
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| InChIKey |
WVMUVRRBQYBNFW-LLVKDONJSA-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