General Information of the Compound
| Compound ID |
CP0284314
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| Compound Name |
US10336717, Compound 59
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C24H28N4O2/c1-28-21(29)14-24(27-22(28)25)20-12-16(18-4-3-11-26-15-18)5-6-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H2,25,27)
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| InChIKey |
VXWOTULKVKXBME-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