General Information of the Compound
| Compound ID |
CP0420684
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| Compound Name |
N-[5-[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C28H32N8O3
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| Molecular Weight |
528.617
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(C)on3)c(C)c2)CC1
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| InChI |
InChI=1S/C28H32N8O3/c1-18-14-22(8-9-23(18)29-28(38)31-26-15-19(2)39-34-26)24-16-25(33-32-24)30-27(37)21-6-4-20(5-7-21)17-36-12-10-35(3)11-13-36/h4-9,14-16H,10-13,17H2,1-3H3,(H2,29,31,34,38)(H2,30,32,33,37)
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| InChIKey |
RFGBGVONINGLAB-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