General Information of the Compound
| Compound ID |
CP0545596
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| Compound Name |
US9428460, 1
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| Formula |
C23H22F2N2O2
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| Molecular Weight |
396.437
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12
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| InChI |
InChI=1S/C23H22F2N2O2/c24-17-8-6-16(7-9-17)23(28)27-14-15-4-10-18(11-5-15)29-21-12-13-26-22-19(21)2-1-3-20(22)25/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,27,28)/t15-,18-
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| InChIKey |
SMJFZIKHGRDRRK-RZDIXWSQSA-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