General Information of the Compound
| Compound ID |
CP0568947
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| Compound Name |
US9139585, 10
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1[C@H]2CC[C@@H]1CN(C2)c1ccc(cn1)[N+]#[C-]
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| InChI |
InChI=1S/C23H24N4O3/c1-14-18(6-7-19-20(14)13-30-23(19)29)21(28)12-27-16-4-5-17(27)11-26(10-16)22-8-3-15(24-2)9-25-22/h3,6-9,16-17,21,28H,4-5,10-13H2,1H3/t16-,17+,21-/m0/s1
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| InChIKey |
VGTZOSCEZLUZMC-FVJLSDCUSA-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