General Information of the Compound
| Compound ID |
CP0498476
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| Compound Name |
2-[4-[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]piperazin-1-yl]-N-cyclohexylacetamide
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| Structure |
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| Formula |
C34H42N6O6
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| Molecular Weight |
630.746
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)COCC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H42N6O6/c1-44-27-12-8-24(9-13-27)29-20-30(38-34(36-29)25-10-14-28(45-2)15-11-25)37-32(42)22-46-23-33(43)40-18-16-39(17-19-40)21-31(41)35-26-6-4-3-5-7-26/h8-15,20,26H,3-7,16-19,21-23H2,1-2H3,(H,35,41)(H,36,37,38,42)
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| InChIKey |
GONARWIQHPKBIV-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