General Information of the Compound
| Compound ID |
CP0577814
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| Compound Name |
US8614213, 2.8
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| Formula |
C21H23ClF3N3O
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| Molecular Weight |
425.882
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| Canonical SMILES |
Cc1ccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1
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| InChI |
InChI=1S/C21H23ClF3N3O/c1-13-2-9-19(26-11-13)27-12-14-3-6-16(7-4-14)28-20(29)17-10-15(21(23,24)25)5-8-18(17)22/h2,5,8-11,14,16H,3-4,6-7,12H2,1H3,(H,26,27)(H,28,29)/t14-,16-
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| InChIKey |
DPVLQYBEEUQDRO-KOMQPUFPSA-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