General Information of the Compound
| Compound ID |
CP0849172
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| Compound Name |
(S)-3-Phenyl-N'1-[2-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-propane-1,2-diamine
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| Structure |
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| Formula |
C22H24N6S
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| Molecular Weight |
404.543
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| Canonical SMILES |
N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1
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| InChI |
InChI=1S/C22H24N6S/c23-16(10-14-6-2-1-3-7-14)13-24-21-19-17-8-4-5-9-18(17)29-22(19)28-20(27-21)15-11-25-26-12-15/h1-3,6-7,11-12,16H,4-5,8-10,13,23H2,(H,25,26)(H,24,27,28)/t16-/m0/s1
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| InChIKey |
AOFFBJFIIAWVEQ-INIZCTEOSA-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