General Information of the Compound
| Compound ID |
CP0469968
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| Compound Name |
US9212153, 249,Ex. 202
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| Formula |
C18H22FN3O2
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| Molecular Weight |
331.391
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3c(cccc3F)C22N=C(N)N(C)C2=O)CC1
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| InChI |
InChI=1S/C18H22FN3O2/c1-22-15(23)18(21-16(22)20)13-4-3-5-14(19)12(13)10-17(18)8-6-11(24-2)7-9-17/h3-5,11H,6-10H2,1-2H3,(H2,20,21)/t11-,17-,18?
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| InChIKey |
COZVYHAVOVJZNL-YANHADEHSA-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