General Information of the Compound
| Compound ID |
CP0521381
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| Compound Name |
5-amino-N-[1-(2-cyclopropylpyrimidin-5-yl)azetidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C21H22N8OS
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| Molecular Weight |
434.529
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| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
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| InChI |
InChI=1S/C21H22N8OS/c1-10-5-15-25-11(2)27-29(15)21-16(10)17(22)18(31-21)20(30)26-13-8-28(9-13)14-6-23-19(24-7-14)12-3-4-12/h5-7,12-13H,3-4,8-9,22H2,1-2H3,(H,26,30)
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| InChIKey |
BWUJAXBHZRKFME-UHFFFAOYSA-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