General Information of the Compound
| Compound ID |
CP0466702
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| Compound Name |
US9193726, 36
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| Structure |
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| Formula |
C23H22ClFN4O3
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| Molecular Weight |
456.905
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1ccc(F)c(Cl)c1C
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| InChI |
InChI=1S/C23H22ClFN4O3/c1-13-11-27(12-26-13)17-4-5-18-23(31)28(9-10-29(18)22(17)30)16-6-8-20(16)32-19-7-3-15(25)21(24)14(19)2/h3-5,7,11-12,16,20H,6,8-10H2,1-2H3/t16-,20-/m1/s1
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| InChIKey |
RSIKXWDIYXMYKV-OXQOHEQNSA-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