General Information of the Compound
| Compound ID |
CP0068579
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| Compound Name |
US8710076, E-2
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| Structure |
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| Formula |
C24H22FN5O2
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| Molecular Weight |
431.471
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(F)cccc12
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| InChI |
InChI=1S/C24H22FN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3/t16-,17-/m1/s1
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| InChIKey |
BVUZOFDSUCGTDO-IAGOWNOFSA-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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