General Information of the Compound
| Compound ID |
CP0508570
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| Compound Name |
CHEMBL2087329
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| Formula |
C26H37N5O4
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| Molecular Weight |
483.613
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| Canonical SMILES |
CNC(=O)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O
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| InChI |
InChI=1S/C26H37N5O4/c1-16(2)31-23-8-6-5-7-17(23)11-22(25(31)34)24(33)28-18-12-19-9-10-20(13-18)30(19)15-21(32)14-29(4)26(35)27-3/h5-8,11,16,18-21,32H,9-10,12-15H2,1-4H3,(H,27,35)(H,28,33)/t18-,19+,20-,21?
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| InChIKey |
BEBXQYPZPVPBBW-CWNQJQRUSA-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