General Information of the Compound
| Compound ID |
CP0509684
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| Compound Name |
N-[2-[[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]methyl]phenyl]prop-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)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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| InChIKey |
JLBPMMJOCCXZPC-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