General Information of the Compound
| Compound ID |
CP0491072
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| Compound Name |
2-(3-chloro-4-fluorophenyl)-7-(6-chloro-5-fluoro-1H-benzo[d]imidazol-2-yl)-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
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| Structure |
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| Formula |
C25H19Cl2F2N5O
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| Molecular Weight |
514.363
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| Canonical SMILES |
Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(Cl)c(F)cc3[nH]2)C1=O
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| InChI |
InChI=1S/C25H19Cl2F2N5O/c26-15-11-14(4-5-17(15)28)34-22(19-3-1-2-8-30-19)25(23(34)35)6-9-33(10-7-25)24-31-20-12-16(27)18(29)13-21(20)32-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,31,32)
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| InChIKey |
XVBZNKYJEANPDR-UHFFFAOYSA-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