General Information of the Compound
| Compound ID |
CP0462323
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| Compound Name |
3-cyano-N-[(E)-[1-(2-cyclopentylacetyl)indol-3-yl]methylideneamino]-4-hydroxybenzamide
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| Structure |
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| Formula |
C24H22N4O3
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| Molecular Weight |
414.465
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| Canonical SMILES |
Oc1ccc(cc1C#N)C(=O)N\N=C\c1cn(C(=O)CC2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C24H22N4O3/c25-13-18-12-17(9-10-22(18)29)24(31)27-26-14-19-15-28(21-8-4-3-7-20(19)21)23(30)11-16-5-1-2-6-16/h3-4,7-10,12,14-16,29H,1-2,5-6,11H2,(H,27,31)/b26-14+
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| InChIKey |
QBBCNWBRHZVOJU-VULFUBBASA-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