General Information of the Compound
| Compound ID |
CP0517784
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| Compound Name |
1-butyl-3-[3-(5-chloro-6-hydroxynaphthalen-2-yl)propanoylamino]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C21H22ClN3O4
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| Molecular Weight |
415.877
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| Canonical SMILES |
CCCCn1cc(C(O)=O)c(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)n1
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| InChI |
InChI=1S/C21H22ClN3O4/c1-2-3-10-25-12-16(21(28)29)20(24-25)23-18(27)9-5-13-4-7-15-14(11-13)6-8-17(26)19(15)22/h4,6-8,11-12,26H,2-3,5,9-10H2,1H3,(H,28,29)(H,23,24,27)
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| InChIKey |
SAWHQAVXZWQVLS-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