General Information of the Compound
| Compound ID |
CP0506772
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| Compound Name |
US9062059, 2-4
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1
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| InChI |
InChI=1S/C24H26N6O/c1-15-10-19(30(3)29-15)13-25-23-12-24(27-16(2)26-23)31-14-18-11-20(18)22-9-8-17-6-4-5-7-21(17)28-22/h4-10,12,18,20H,11,13-14H2,1-3H3,(H,25,26,27)/t18-,20+/m1/s1
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| InChIKey |
ZWRMYOXRFVPNCH-QUCCMNQESA-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