General Information of the Compound
| Compound ID |
CP0468764
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| Compound Name |
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]-2-methylprop-2-enamide
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| Structure |
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| Formula |
C30H31N9O
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| Molecular Weight |
533.64
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C(C)=C)c1
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| InChI |
InChI=1S/C30H31N9O/c1-19(2)30(40)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-29(39)27-28(31)32-17-25(35-27)20-16-33-38(18-20)22-11-13-37(3)14-12-22/h4-10,15-18,22H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
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| InChIKey |
NPMNRZCWBJYEFO-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