General Information of the Compound
| Compound ID |
CP0671784
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexylamino)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C29H32F3N5O2
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| Molecular Weight |
539.602
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C29H32F3N5O2/c30-23-14-17(15-24(31)26(23)32)3-8-25(38)37-12-9-19(10-13-37)27(28(33)39)36-20-6-4-18(5-7-20)22-16-35-29-21(22)2-1-11-34-29/h1-3,8,11,14-16,18-20,27,36H,4-7,9-10,12-13H2,(H2,33,39)(H,34,35)/b8-3+
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| InChIKey |
KSCWDPYMAMOLRV-FPYGCLRLSA-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