General Information of the Compound
| Compound ID |
CP0499871
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| Compound Name |
US9139585, 20
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| Structure |
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| Formula |
C25H28N4O5
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| Molecular Weight |
464.522
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2CC(O)c1ccc(cn1)[N+]#[C-]
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| InChI |
InChI=1S/C25H28N4O5/c1-15-19(4-5-20-21(15)14-34-25(20)32)23(30)10-28-8-17-12-33-13-18(9-28)29(17)11-24(31)22-6-3-16(26-2)7-27-22/h3-7,17-18,23-24,30-31H,8-14H2,1H3/t17?,18?,23-,24?/m0/s1
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| InChIKey |
AUJADHNDWJZIKW-AVYYZFEISA-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