General Information of the Compound
| Compound ID |
CP0078550
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| Compound Name |
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(2-hydroxyethyl)-N-methylbenzamide
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| Structure |
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| Formula |
C32H37FN4O3
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| Molecular Weight |
544.671
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| Canonical SMILES |
CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C32H37FN4O3/c1-35(19-20-38)32(40)26-11-7-24(8-12-26)30(27-3-2-4-29(21-27)34-31(39)25-9-10-25)37-17-15-36(16-18-37)22-23-5-13-28(33)14-6-23/h2-8,11-14,21,25,30,38H,9-10,15-20,22H2,1H3,(H,34,39)/t30-/m1/s1
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| InChIKey |
PSKBLTTURNPFTI-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