General Information of the Compound
| Compound ID |
CP0580200
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| Compound Name |
CHEMBL5179543
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| Formula |
C26H33ClFN3O2
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| Molecular Weight |
474.02
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2Cl)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2ccc(F)cc2)CCN1
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| InChI |
InChI=1S/C26H33ClFN3O2/c1-18-16-31(14-13-29-18)17-20-3-8-22(15-25(20)27)30(2)26(32)19-4-9-23(10-5-19)33-24-11-6-21(28)7-12-24/h3,6-8,11-12,15,18-19,23,29H,4-5,9-10,13-14,16-17H2,1-2H3/t18-,19-,23-/m0/s1
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| InChIKey |
KTJJPPAQCSUVSS-YDHSSHFGSA-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