General Information of the Compound
| Compound ID |
CP0299085
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| Compound Name |
tert-butyl (3R)-4-[5-[(2-cyano-4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C23H29N5O5S
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| Molecular Weight |
487.582
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H29N5O5S/c1-16-14-27(22(29)33-23(2,3)4)8-9-28(16)21-25-12-19(13-26-21)32-15-17-6-7-20(34(5,30)31)10-18(17)11-24/h6-7,10,12-13,16H,8-9,14-15H2,1-5H3/t16-/m1/s1
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| InChIKey |
PBWNUNVXZZYHOC-MRXNPFEDSA-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