General Information of the Compound
| Compound ID |
CP0018312
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| Compound Name |
4-amino-6-[[(1S)-1-[6-[3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl-methylamino]methyl]phenyl]-3-methyl-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 |
C33H42N8O2S
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| Molecular Weight |
614.82
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1
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| InChI |
InChI=1S/C33H42N8O2S/c1-21-19-44-29-14-27(24(4)38-32-28(15-34)31(35)36-20-37-32)30(33(42)41(21)29)26-10-8-9-25(13-26)18-39(5)11-6-7-12-40-16-22(2)43-23(3)17-40/h8-10,13-14,19-20,22-24H,6-7,11-12,16-18H2,1-5H3,(H3,35,36,37,38)/t22-,23+,24-/m0/s1
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| InChIKey |
ASZPIOTWYSADLY-VXNXHJTFSA-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