General Information of the Compound
| Compound ID |
CP0478612
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| Compound Name |
US9193726, 62
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| Structure |
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| Formula |
C23H21ClF2N4O3
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| Molecular Weight |
474.895
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3cc(F)c(Cl)c(F)c3)CCn2c1=O
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| InChI |
InChI=1S/C23H21ClF2N4O3/c1-13-10-29(12-27-13)18-3-4-19-22(31)28(6-7-30(19)23(18)32)11-15-2-5-20(33-15)14-8-16(25)21(24)17(26)9-14/h3-4,8-10,12,15,20H,2,5-7,11H2,1H3/t15-,20+/m0/s1
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| InChIKey |
WOEGUWOGPNKYRA-MGPUTAFESA-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