General Information of the Compound
| Compound ID |
CP0555294
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| Compound Name |
4-[3-(3-Acetyl-phenyl)-ureido]-3-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzamide
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| Structure |
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| Formula |
C29H31FN4O3
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| Molecular Weight |
502.59
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)Nc2ccc(cc2CN2CCC(Cc3ccc(F)cc3)CC2)C(N)=O)c1
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| InChI |
InChI=1S/C29H31FN4O3/c1-19(35)22-3-2-4-26(17-22)32-29(37)33-27-10-7-23(28(31)36)16-24(27)18-34-13-11-21(12-14-34)15-20-5-8-25(30)9-6-20/h2-10,16-17,21H,11-15,18H2,1H3,(H2,31,36)(H2,32,33,37)
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| InChIKey |
WLMDJDKSCHHUMP-UHFFFAOYSA-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