General Information of the Compound
| Compound ID |
CP0498062
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| Compound Name |
2-[4-(3-tert-Butyl-ureido)-piperidin-1-yl]-N-(6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide
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| Structure |
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| Formula |
C28H38FN5O2
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| Molecular Weight |
495.643
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| Canonical SMILES |
CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1
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| InChI |
InChI=1S/C28H38FN5O2/c1-28(2,3)33-27(36)31-22-10-13-34(14-11-22)18-26(35)32-25-9-6-20-16-21(29)7-8-23(20)24(25)15-19-5-4-12-30-17-19/h4-5,7-8,12,16-17,22,24-25H,6,9-11,13-15,18H2,1-3H3,(H,32,35)(H2,31,33,36)
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| InChIKey |
OVNWFFMUVPDNBX-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