General Information of the Compound
| Compound ID |
CP0911818
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| Compound Name |
(R)-3-Phenyl-N'1-(2-pyridin-4-yl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C23H23N5OS
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| Molecular Weight |
417.538
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| Canonical SMILES |
N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1
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| InChI |
InChI=1S/C23H23N5OS/c24-17(12-15-4-2-1-3-5-15)13-26-22-20-18-8-11-29-14-19(18)30-23(20)28-21(27-22)16-6-9-25-10-7-16/h1-7,9-10,17H,8,11-14,24H2,(H,26,27,28)/t17-/m1/s1
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| InChIKey |
QXNSDPYYBICYLJ-QGZVFWFLSA-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