General Information of the Compound
| Compound ID |
CP0533061
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| Compound Name |
2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-diamine
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| Formula |
C31H44N6O3S
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| Molecular Weight |
580.799
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| Canonical SMILES |
CC(C)Oc1cc(C2CCNCC2)c(C)cc1NC1=NC2NCCCC2C(Nc2ccccc2S(=O)(=O)C(C)C)=N1
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| InChI |
InChI=1S/C31H44N6O3S/c1-19(2)40-27-18-24(22-12-15-32-16-13-22)21(5)17-26(27)35-31-36-29-23(9-8-14-33-29)30(37-31)34-25-10-6-7-11-28(25)41(38,39)20(3)4/h6-7,10-11,17-20,22-23,29,32-33H,8-9,12-16H2,1-5H3,(H2,34,35,36,37)
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| InChIKey |
ZXAPLYDEQIXKNR-UHFFFAOYSA-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