General Information of the Compound
| Compound ID |
CP0450523
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| Compound Name |
CHEMBL2021954
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| Formula |
C22H31F3N2O2
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| Molecular Weight |
412.496
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| Canonical SMILES |
CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28)/t17-,19-
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| InChIKey |
KXXWXEBOCLSFEB-UAPYVXQJSA-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