General Information of the Compound
| Compound ID |
CP0079816
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| Compound Name |
9-(4-chlorophenyl)-3-methyl-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-heptaene
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| Structure |
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| Formula |
C25H23ClN4O
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| Molecular Weight |
430.939
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| Canonical SMILES |
Cc1cnc2-c3oc(cc3Cc3cc(ccc3-n12)N1CCNCC1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23ClN4O/c1-16-15-28-25-24-19(14-23(31-24)17-2-4-20(26)5-3-17)12-18-13-21(6-7-22(18)30(16)25)29-10-8-27-9-11-29/h2-7,13-15,27H,8-12H2,1H3
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| InChIKey |
CDAOXEMWBDQTEE-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