General Information of the Compound
| Compound ID |
CP0419939
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| Compound Name |
US9139585, 5
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| Structure |
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| Formula |
C27H30N4O4
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| Molecular Weight |
474.561
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1C1CCC2N1CC(O)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C27H30N4O4/c1-15-17(3-4-18-19(15)14-35-27(18)34)25(32)12-30-21-6-7-22(30)24-9-8-23(21)31(24)13-26(33)20-5-2-16(10-28)11-29-20/h2-5,11,21-26,32-33H,6-9,12-14H2,1H3/t21?,22?,23?,24?,25-,26?/m0/s1
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| InChIKey |
DQPHHMVGHPBQJC-BXVMBYABSA-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