General Information of the Compound
| Compound ID |
CP0493010
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| Compound Name |
12,14-dimethyl-17-(2-methylphenyl)-9-(3-nitrophenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
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| Structure |
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| Formula |
C28H23N5O4
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| Molecular Weight |
493.523
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| Canonical SMILES |
Cc1ccccc1-c1n-2c(C(Nc3ccccc-23)c2cccc(c2)[N+]([O-])=O)c2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C28H23N5O4/c1-16-9-4-5-12-19(16)24-22-25(30(2)28(35)31(3)27(22)34)26-23(17-10-8-11-18(15-17)33(36)37)29-20-13-6-7-14-21(20)32(24)26/h4-15,23,29H,1-3H3
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| InChIKey |
WFVMMEFNBRPDBA-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