General Information of the Compound
| Compound ID |
CP0518241
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| Compound Name |
US9212153, 153,Ex. 116
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| Structure |
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| Formula |
C26H30ClN3O2
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| Molecular Weight |
451.998
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C26H30ClN3O2/c1-16(2)30-23(31)26(29-24(30)28)22-14-18(17-5-4-6-20(27)13-17)7-8-19(22)15-25(26)11-9-21(32-3)10-12-25/h4-8,13-14,16,21H,9-12,15H2,1-3H3,(H2,28,29)
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| InChIKey |
QOVBNTCTENGLMM-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