General Information of the Compound
| Compound ID |
CP0552255
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| Compound Name |
6-[(3S)-3-[methyl(prop-2-enoyl)amino]pyrrolidin-1-yl]-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H34N6O2
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| Molecular Weight |
462.598
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| Canonical SMILES |
CN([C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(CCN3CCCC3)cc2)n1)C(=O)C=C
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| InChI |
InChI=1S/C26H34N6O2/c1-3-24(33)30(2)21-13-17-32(18-21)23-11-10-22(25(27)34)26(29-23)28-20-8-6-19(7-9-20)12-16-31-14-4-5-15-31/h3,6-11,21H,1,4-5,12-18H2,2H3,(H2,27,34)(H,28,29)/t21-/m0/s1
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| InChIKey |
AAZLLXXSMCDQCH-NRFANRHFSA-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