General Information of the Compound
| Compound ID |
CP0556070
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| Compound Name |
US8614213, 14.1
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| Formula |
C21H23ClF3N3O
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| Molecular Weight |
425.882
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| Canonical SMILES |
Cc1ccncc1NC[C@H]1CC[C@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H23ClF3N3O/c1-13-8-9-26-12-19(13)27-11-14-2-5-16(6-3-14)28-20(29)17-10-15(21(23,24)25)4-7-18(17)22/h4,7-10,12,14,16,27H,2-3,5-6,11H2,1H3,(H,28,29)/t14-,16+
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| InChIKey |
QDGKJWRDSBAYEX-FZNQNYSPSA-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