General Information of the Compound
| Compound ID |
CP0515233
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| Compound Name |
US9493412, 179
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| Formula |
C28H32FN3O3
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| Molecular Weight |
477.58
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| Canonical SMILES |
OC1=C(CN(C2CCN(CC2)c2ccc(F)cc2)C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C28H32FN3O3/c29-21-8-12-23(13-9-21)31-16-14-24(15-17-31)32-18-25(26(33)28(32)35)27(34)30-22-10-6-20(7-11-22)19-4-2-1-3-5-19/h1-5,8-9,12-13,20,22,24,33H,6-7,10-11,14-18H2,(H,30,34)/t20-,22+
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| InChIKey |
DCPUIXNZMFJLSW-GRGXKFILSA-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