General Information of the Compound
| Compound ID |
CP0533327
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| Compound Name |
4,6-dimethyl-N-[(3R)-3-[4-[N-[(4-methylpyridin-3-yl)methyl]-4-methylsulfinylanilino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H40N6O2S
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| Molecular Weight |
548.757
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)S(C)=O
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| InChI |
InChI=1S/C30H40N6O2S/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(9-7-26)39(5)38)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-,39?/m1/s1
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| InChIKey |
CXDATJCGJCBTES-DJHKVZLPSA-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