General Information of the Compound
| Compound ID |
CP0292124
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| Compound Name |
4-[(R)-[3-(cyclobutanecarbonylamino)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-N-ethyl-N-methylbenzamide
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| Structure |
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| Formula |
C32H39N5O2
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| Molecular Weight |
525.697
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)C2CCC2)c1
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| InChI |
InChI=1S/C32H39N5O2/c1-3-35(2)32(39)27-14-12-25(13-15-27)30(28-10-5-11-29(21-28)34-31(38)26-8-4-9-26)37-19-17-36(18-20-37)23-24-7-6-16-33-22-24/h5-7,10-16,21-22,26,30H,3-4,8-9,17-20,23H2,1-2H3,(H,34,38)/t30-/m1/s1
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| InChIKey |
CCJQAHGQHFUIAD-SSEXGKCCSA-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