General Information of the Compound
| Compound ID |
CP0301228
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| Compound Name |
tert-butyl (3R)-3-methyl-4-[5-[(3-methylpyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H29N5O3
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| Molecular Weight |
399.495
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C21H29N5O3/c1-15-10-22-7-6-17(15)14-28-18-11-23-19(24-12-18)26-9-8-25(13-16(26)2)20(27)29-21(3,4)5/h6-7,10-12,16H,8-9,13-14H2,1-5H3/t16-/m1/s1
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| InChIKey |
ZCIGKFMUVUHIME-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