General Information of the Compound
| Compound ID |
CP0518069
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| Compound Name |
CHEMBL374293
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H36N4O4/c1-29(2,3)23-10-14-25(15-11-23)33(28(37)32-24-12-6-20(18-30)7-13-24)19-21-4-8-22(9-5-21)27(36)31-17-16-26(34)35/h4-9,12-13,23,25H,10-11,14-17,19H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)/t23-,25-
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| InChIKey |
QGSSQDGFAFSSAC-ALOJWSFFSA-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