General Information of the Compound
| Compound ID |
CP0556453
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| Compound Name |
N-[3-[2-[3-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H29N9O2
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| Molecular Weight |
535.612
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| Canonical SMILES |
Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1
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| InChI |
InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)
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| InChIKey |
AHQYTULCADSYLZ-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