General Information of the Compound
| Compound ID |
CP0961356
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| Compound Name |
US8614213, 4.11
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| Formula |
C24H23ClF4N4O
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| Molecular Weight |
494.92
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CNc2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C24H23ClF4N4O/c25-20-10-5-16(24(27,28)29)11-19(20)23(34)31-18-8-1-14(2-9-18)13-30-22-12-21(32-33-22)15-3-6-17(26)7-4-15/h3-7,10-12,14,18H,1-2,8-9,13H2,(H,31,34)(H2,30,32,33)/t14-,18-
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| InChIKey |
QFDRLKJTTYNBOX-PPUGGXLSSA-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