General Information of the Compound
| Compound ID |
CP0539919
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| Compound Name |
2-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-propylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H29N5O4
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| Molecular Weight |
475.549
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| Canonical SMILES |
CCCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C26H29N5O4/c1-4-12-27-23(33)19-14-28-25(31-22(19)30-21(15-32)16-8-6-5-7-9-16)29-17-10-11-18-20(13-17)26(2,3)35-24(18)34/h5-11,13-14,21,32H,4,12,15H2,1-3H3,(H,27,33)(H2,28,29,30,31)/t21-/m1/s1
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| InChIKey |
JBGWDRMZKMTPOT-OAQYLSRUSA-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