General Information of the Compound
| Compound ID |
CP0410604
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| Compound Name |
CHEMBL4101281
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| Formula |
C21H22F3N3O3
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| Molecular Weight |
421.419
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| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C21H22F3N3O3/c22-21(23,24)29-18-3-1-14(2-4-18)9-15-5-7-20(28,8-6-15)11-17-10-19(30-27-17)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20+
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| InChIKey |
ZAYUGTUDYGNQFR-GSXCWMCISA-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