General Information of the Compound
| Compound ID |
CP0952731
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| Compound Name |
(S)-4,4-Dimethyl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-pentane-1,2-diamine
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| Structure |
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| Formula |
C22H29N5S
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| Molecular Weight |
395.576
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| Canonical SMILES |
CC(C)(C)C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C22H29N5S/c1-22(2,3)12-15(23)13-25-20-18-16-6-4-5-7-17(16)28-21(18)27-19(26-20)14-8-10-24-11-9-14/h8-11,15H,4-7,12-13,23H2,1-3H3,(H,25,26,27)/t15-/m0/s1
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| InChIKey |
JMDBJTBOAUQGLG-HNNXBMFYSA-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