General Information of the Compound
| Compound ID |
CP0951763
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| Compound Name |
(2-Pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-(S)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C19H21N5S
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| Molecular Weight |
351.479
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| Canonical SMILES |
c1cc(-c2nc(N[C@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1
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| InChI |
InChI=1S/C19H21N5S/c1-2-4-15-14(3-1)16-18(22-13-7-10-21-11-13)23-17(24-19(16)25-15)12-5-8-20-9-6-12/h5-6,8-9,13,21H,1-4,7,10-11H2,(H,22,23,24)/t13-/m0/s1
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| InChIKey |
XPPBRBBOBIZKRK-ZDUSSCGKSA-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