General Information of the Compound
| Compound ID |
CP0474061
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| Compound Name |
N-[3-[2-[3-amino-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H32N10O
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| Molecular Weight |
548.655
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| Canonical SMILES |
CN1CCN(CCn2cc(cn2)-c2cnc(N)c(n2)-c2nc3ccccc3n2-c2cccc(NC(=O)C=C)c2)CC1
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| InChI |
InChI=1S/C30H32N10O/c1-3-27(41)34-22-7-6-8-23(17-22)40-26-10-5-4-9-24(26)36-30(40)28-29(31)32-19-25(35-28)21-18-33-39(20-21)16-15-38-13-11-37(2)12-14-38/h3-10,17-20H,1,11-16H2,2H3,(H2,31,32)(H,34,41)
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| InChIKey |
LJPDEFDDANVUMG-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