General Information of the Compound
| Compound ID |
CP0969797
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| Compound Name |
US8614213, 19.71
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| Formula |
C25H26ClF3N4O
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| Molecular Weight |
490.957
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| Canonical SMILES |
Cc1n[nH]c(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1-c1ccccc1
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| InChI |
InChI=1S/C25H26ClF3N4O/c1-15-22(17-5-3-2-4-6-17)23(33-32-15)30-14-16-7-10-19(11-8-16)31-24(34)20-13-18(25(27,28)29)9-12-21(20)26/h2-6,9,12-13,16,19H,7-8,10-11,14H2,1H3,(H,31,34)(H2,30,32,33)/t16-,19-
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| InChIKey |
WYHDUDTZNJENDI-RUCARUNLSA-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