General Information of the Compound
| Compound ID |
CP0882381
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| Compound Name |
SID134215387
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| Structure |
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| Formula |
C36H46FN3O3
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| Molecular Weight |
587.78
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| Canonical SMILES |
CC(C)=CCC/C(C)=C/CN1C(=O)N(c2ccc(F)cc2)[C@H]2C[C@@H](c3ccccc3)[C@@H](C)[C@@H](C(=O)N3CCOCC3)C[C@H]21
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| InChI |
InChI=1S/C36H46FN3O3/c1-25(2)9-8-10-26(3)17-18-39-33-24-32(35(41)38-19-21-43-22-20-38)27(4)31(28-11-6-5-7-12-28)23-34(33)40(36(39)42)30-15-13-29(37)14-16-30/h5-7,9,11-17,27,31-34H,8,10,18-24H2,1-4H3/b26-17+/t27-,31-,32+,33-,34+/m1/s1
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| InChIKey |
IYRKYQPWAYQNET-GTPSBNLBSA-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