General Information of the Compound
| Compound ID |
CP0576976
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| Compound Name |
CHEMBL5187776
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| Formula |
C27H36FN3O2
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| Molecular Weight |
453.602
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@@H](CC3)Oc3ccc(F)cc3)c(C)c2)CCN1
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| InChI |
InChI=1S/C27H36FN3O2/c1-19-16-21(18-31-15-14-29-20(2)17-31)4-13-26(19)30(3)27(32)22-5-9-24(10-6-22)33-25-11-7-23(28)8-12-25/h4,7-8,11-13,16,20,22,24,29H,5-6,9-10,14-15,17-18H2,1-3H3/t20-,22-,24-/m0/s1
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| InChIKey |
BXFKSEBZTOEPSP-SSPYTLHUSA-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