General Information of the Compound
| Compound ID |
CP0017045
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| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[3-[[4-(2-morpholin-4-ylethyl)piperazin-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 |
C32H39N9O2S
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| Molecular Weight |
613.792
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1
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| InChI |
InChI=1S/C32H39N9O2S/c1-22-20-44-28-17-26(23(2)37-31-27(18-33)30(34)35-21-36-31)29(32(42)41(22)28)25-5-3-4-24(16-25)19-40-10-8-38(9-11-40)6-7-39-12-14-43-15-13-39/h3-5,16-17,20-21,23H,6-15,19H2,1-2H3,(H3,34,35,36,37)/t23-/m0/s1
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| InChIKey |
GYCJIBKTQHKMIU-QHCPKHFHSA-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