General Information of the Compound
| Compound ID |
CP0443052
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| Compound Name |
US9212153, 122,Ex. 87
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1ccnnc1
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| InChI |
InChI=1S/C25H25N5O/c1-30-23(26)29-25(31-30)22-14-19(21-10-13-27-28-16-21)6-7-20(22)15-24(25)11-8-17-4-2-3-5-18(17)9-12-24/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H2,26,29)
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| InChIKey |
UITLVASCSAREDX-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