General Information of the Compound
| Compound ID |
CP0824224
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-(3-hydroxypropoxy)phenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl)urea hydrochloride hydrate
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| Structure |
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| Formula |
C34H46ClN5O5
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| Molecular Weight |
640.225
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| Canonical SMILES |
CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCCO)c2)c2cccnc21.Cl.O
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| InChI |
InChI=1S/C34H43N5O4.ClH.H2O/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5;;/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42);1H;1H2
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| InChIKey |
ZUCFGSAENWHFPO-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