General Information of the Compound
| Compound ID |
CP0954827
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| Compound Name |
(S)-N'1-(7,7-Dimethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C26H29N5S
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| Molecular Weight |
443.62
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| Canonical SMILES |
CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1
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| InChI |
InChI=1S/C26H29N5S/c1-26(2)11-8-20-21(15-26)32-25-22(20)24(30-23(31-25)18-9-12-28-13-10-18)29-16-19(27)14-17-6-4-3-5-7-17/h3-7,9-10,12-13,19H,8,11,14-16,27H2,1-2H3,(H,29,30,31)/t19-/m0/s1
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| InChIKey |
GBXBOIWNCDMEBO-IBGZPJMESA-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