General Information of the Compound
| Compound ID |
CP0414130
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| Compound Name |
CHEMBL3394400
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| Formula |
C22H28F3N3O3
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| Molecular Weight |
439.478
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(O)(CC1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C22H28F3N3O3/c23-22(24,25)21(31)4-6-28(7-5-21)17-3-1-2-16(26-17)19(29)27-18-14-8-13-9-15(18)12-20(30,10-13)11-14/h1-3,13-15,18,30-31H,4-12H2,(H,27,29)/t13?,14?,15?,18-,20-
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| InChIKey |
HZGHCNHMJRLODL-LPETUQJSSA-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