General Information of the Compound
| Compound ID |
CP0191246
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| Compound Name |
4-(15-piperazin-1-yl-8-oxa-2,5-diazatetracyclo[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 |
C25H21N5O
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| Molecular Weight |
407.477
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
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| InChI |
InChI=1S/C25H21N5O/c26-16-17-1-3-18(4-2-17)23-15-20-13-19-14-21(29-10-7-27-8-11-29)5-6-22(19)30-12-9-28-25(30)24(20)31-23/h1-6,9,12,14-15,27H,7-8,10-11,13H2
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| InChIKey |
HELAOPSUGMMSIW-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