General Information of the Compound
| Compound ID |
CP0479345
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| Compound Name |
US8772323, 223
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| Structure |
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H](C)O[C@H](C)C2)cc1
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| InChI |
InChI=1S/C29H36N4O4/c1-5-6-24-20(4)27(31-32-28(24)34)22-9-12-25-26(15-22)37-29(30-25)21-7-10-23(11-8-21)35-14-13-33-16-18(2)36-19(3)17-33/h7-12,15,18-20,24H,5-6,13-14,16-17H2,1-4H3,(H,32,34)/t18-,19+,20-,24-/m0/s1
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| InChIKey |
FCIUACNOKIULHD-VKDGWMQASA-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