General Information of the Compound
| Compound ID |
CP0503675
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| Compound Name |
US8969325, 15
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc34)cccc12
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| InChI |
InChI=1S/C23H26N4O3/c1-27-19-9-6-8-17(16(19)14-24-22(27)29)25-21(28)26-18-13-23(11-4-5-12-23)30-20-10-3-2-7-15(18)20/h2-3,6-10,18H,4-5,11-14H2,1H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1
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| InChIKey |
MKWILBSSUAVTRM-GOSISDBHSA-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