General Information of the Compound
| Compound ID |
CP0298453
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| Compound Name |
9-(4-chlorophenyl)-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-heptaene
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| Structure |
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| Formula |
C23H20ClN5O
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| Molecular Weight |
417.9
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
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| InChI |
InChI=1S/C23H20ClN5O/c24-18-3-1-15(2-4-18)21-13-17-11-16-12-19(28-9-7-25-8-10-28)5-6-20(16)29-14-26-27-23(29)22(17)30-21/h1-6,12-14,25H,7-11H2
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| InChIKey |
CPKRQGKZSQPZPY-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