General Information of the Compound
| Compound ID |
CP0470327
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| Compound Name |
US8614213, 21.5
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| Formula |
C22H25ClF3N5O2
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| Molecular Weight |
483.922
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| Canonical SMILES |
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F)N1CCNC1=O
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| InChI |
InChI=1S/C22H25ClF3N5O2/c1-13-10-19(30-9-8-27-21(30)33)29-31(13)12-14-2-5-16(6-3-14)28-20(32)17-11-15(22(24,25)26)4-7-18(17)23/h4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,27,33)(H,28,32)/t14-,16-
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| InChIKey |
MLUKGHVPUZIXCC-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