General Information of the Compound
| Compound ID |
CP0942475
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| Compound Name |
SID131464462
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| Structure |
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| Formula |
C30H30FN3O2
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| Molecular Weight |
483.587
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| Canonical SMILES |
O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C30H30FN3O2/c31-25-9-6-10-26(19-25)32-30(36)33-17-4-5-18-34-27(20-33)29(28(34)21-35)24-15-13-23(14-16-24)12-11-22-7-2-1-3-8-22/h1-3,6-10,13-16,19,27-29,35H,4-5,17-18,20-21H2,(H,32,36)/t27-,28-,29-/m0/s1
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| InChIKey |
JPEXCUQWYOSJCT-AWCRTANDSA-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