General Information of the Compound
| Compound ID |
CP0952735
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| Compound Name |
N'1-(7,7-Dimethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C19H23N5S
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| Molecular Weight |
353.495
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| Canonical SMILES |
CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C19H23N5S/c1-19(2)6-3-13-14(11-19)25-18-15(13)17(22-10-7-20)23-16(24-18)12-4-8-21-9-5-12/h4-5,8-9H,3,6-7,10-11,20H2,1-2H3,(H,22,23,24)
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| InChIKey |
ITRLYWPXQGSNOD-UHFFFAOYSA-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