General Information of the Compound
| Compound ID |
CP0197173
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| Compound Name |
4-(15-piperazin-1-yl-8-oxa-2,4,5-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7(11),9,14,16-heptaen-9-yl)benzonitrile
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| Structure |
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| Formula |
C24H20N6O
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| Molecular Weight |
408.465
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
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| InChI |
InChI=1S/C24H20N6O/c25-14-16-1-3-17(4-2-16)22-13-19-11-18-12-20(29-9-7-26-8-10-29)5-6-21(18)30-15-27-28-24(30)23(19)31-22/h1-6,12-13,15,26H,7-11H2
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| InChIKey |
MANUYYBKDVBEBT-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