General Information of the Compound
| Compound ID |
CP0405902
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| Compound Name |
N-[(1R)-2-[[5-chloro-6-methyl-2-(5-pyrrolidin-1-ylpyridin-2-yl)pyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
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| Structure |
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| Formula |
C30H39ClN8O
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| Molecular Weight |
563.15
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)N1CCCC1
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| InChI |
InChI=1S/C30H39ClN8O/c1-22-28(31)30(37-29(35-22)25-12-11-24(20-33-25)39-16-5-6-17-39)34-21-26(23-8-3-2-4-9-23)36-27(40)10-7-15-38-18-13-32-14-19-38/h2-4,8-9,11-12,20,26,32H,5-7,10,13-19,21H2,1H3,(H,36,40)(H,34,35,37)/t26-/m0/s1
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| InChIKey |
ZNMJIFZLXAVFEM-SANMLTNESA-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