General Information of the Compound
| Compound ID |
CP0512162
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| Compound Name |
US8802711, 12
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
O=C(N[C@H]1CC[C@@H](C1)c1ccccc1)Nc1ccc2CCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H23N3O2/c25-20-11-8-15-6-9-18(13-19(15)24-20)23-21(26)22-17-10-7-16(12-17)14-4-2-1-3-5-14/h1-6,9,13,16-17H,7-8,10-12H2,(H,24,25)(H2,22,23,26)/t16-,17-/m0/s1
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| InChIKey |
FXEKRZUWDWVCFU-IRXDYDNUSA-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