General Information of the Compound
| Compound ID |
CP0474597
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| Compound Name |
N-[(E)-[4-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
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| Structure |
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| Formula |
C32H31N5O3
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| Molecular Weight |
533.632
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| Canonical SMILES |
CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)c2ccccc12
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| InChI |
InChI=1S/C32H31N5O3/c1-36(2)16-17-37(22-23-8-4-3-5-9-23)31(39)19-24-12-13-26(29-11-7-6-10-28(24)29)21-34-35-32(40)25-14-15-30(38)27(18-25)20-33/h3-15,18,21,38H,16-17,19,22H2,1-2H3,(H,35,40)/b34-21+
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| InChIKey |
ZHBGAAQPJPITSF-KEIPNQJHSA-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