General Information of the Compound
| Compound ID |
CP0918219
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| Compound Name |
(S)-N'1-[6-tert-Butyl-7-(2H-pyrazol-3-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)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccn[nH]1
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| InChI |
InChI=1S/C27H29N7S/c1-27(2,3)24-21(20-11-14-31-34-20)22-23(35-24)26(33-25(32-22)18-9-12-29-13-10-18)30-16-19(28)15-17-7-5-4-6-8-17/h4-14,19H,15-16,28H2,1-3H3,(H,31,34)(H,30,32,33)/t19-/m0/s1
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| InChIKey |
KHQYZIOUHMRZAS-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