General Information of the Compound
| Compound ID |
CP0493518
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| Compound Name |
4-{7,7,10,10-tetramethyl-2-[(E)-(3-phenyl-acryloyl)amino]-5-propyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl}-benzoic acid
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| Structure |
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| Formula |
C31H34N4O3
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| Molecular Weight |
510.638
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| Canonical SMILES |
CNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
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| InChI |
InChI=1S/C31H34N4O3/c1-30(2)13-14-31(3,4)23-17-26-21(16-22(23)30)27(18-7-9-19(10-8-18)28(36)37)34-24-15-20(33-29(38)32-5)11-12-25(24)35(26)6/h7-12,15-17H,13-14H2,1-6H3,(H,36,37)(H2,32,33,38)
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| InChIKey |
GLCXHEQYPMKZNS-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