General Information of the Compound
| Compound ID |
CP0956770
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| Compound Name |
US8921559, 48
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| Structure |
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| Formula |
C28H36N6O2
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| Molecular Weight |
488.636
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| Canonical SMILES |
Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1
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| InChI |
InChI=1S/C28H36N6O2/c1-18-4-2-5-22(16-18)33-28(36)34-14-11-20(12-15-34)25(27(29)35)32-21-9-7-19(8-10-21)23-17-31-24-6-3-13-30-26(23)24/h2-6,13,16-17,19-21,25,31-32H,7-12,14-15H2,1H3,(H2,29,35)(H,33,36)
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| InChIKey |
LGICKRCRPZXESW-UHFFFAOYSA-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