General Information of the Compound
| Compound ID |
CP0023940
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| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[3-[[4-[methyl(3,3,3-trifluoropropyl)amino]piperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C31H35F3N8OS
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| Molecular Weight |
624.737
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1
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| InChI |
InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/m0/s1
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| InChIKey |
RATQMQSQVVIPRC-FQEVSTJZSA-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