General Information of the Compound
| Compound ID |
CP0125726
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| Compound Name |
N-[4-[7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-cyclopentylpropanamide
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| Structure |
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| Formula |
C31H37N7O
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| Molecular Weight |
523.685
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1
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| InChI |
InChI=1S/C31H37N7O/c1-36-15-17-37(18-16-36)26-8-4-7-24(19-26)28-21-34-38-30(32)27(20-33-31(28)38)23-10-12-25(13-11-23)35-29(39)14-9-22-5-2-3-6-22/h4,7-8,10-13,19-22H,2-3,5-6,9,14-18,32H2,1H3,(H,35,39)
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| InChIKey |
BHIWBHXJQRREGM-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