General Information of the Compound
| Compound ID |
CP0912126
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| Compound Name |
N-{3-Cyano-4-[3-(1,4-diazepan-1-ylmethyl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl}furan-2-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H28Cl2FN5O3
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| Molecular Weight |
584.479
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| Canonical SMILES |
Cl.Cl.N#Cc1c(-c2cccc(CN3CCCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1
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| InChI |
InChI=1S/C29H26FN5O3.2ClH/c30-21-7-8-22(26(36)15-21)25-16-23(24(17-31)28(33-25)34-29(37)27-6-2-13-38-27)20-5-1-4-19(14-20)18-35-11-3-9-32-10-12-35;;/h1-2,4-8,13-16,32,36H,3,9-12,18H2,(H,33,34,37);2*1H
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| InChIKey |
IQTKWUGTYDPYIE-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