General Information of the Compound
| Compound ID |
CP0574946
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| Compound Name |
CHEMBL4874730
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| Formula |
C29H32N6O3
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| Molecular Weight |
512.614
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H32N6O3/c1-33(2)16-6-9-25(36)34-17-14-20(15-18-34)24-19-31-35-27(28(30)37)26(32-29(24)35)21-10-12-23(13-11-21)38-22-7-4-3-5-8-22/h3-13,19-20,32H,14-18H2,1-2H3,(H2,30,37)/b9-6+
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| InChIKey |
XMGONFHVYNCJAA-RMKNXTFCSA-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