General Information of the Compound
| Compound ID |
CP0917528
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| Compound Name |
(S)-N'1-[7-(1-Isobutyl-1H-pyrazol-4-yl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C27H29N7S
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| Molecular Weight |
483.645
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| Canonical SMILES |
CC(C)Cn1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)cn1
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| InChI |
InChI=1S/C27H29N7S/c1-18(2)15-34-16-21(13-31-34)23-17-35-25-24(23)32-26(20-8-10-29-11-9-20)33-27(25)30-14-22(28)12-19-6-4-3-5-7-19/h3-11,13,16-18,22H,12,14-15,28H2,1-2H3,(H,30,32,33)/t22-/m0/s1
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| InChIKey |
GRBLRZRANHQCKV-QFIPXVFZSA-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