General Information of the Compound
| Compound ID |
CP0515860
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| Compound Name |
CHEMBL491230
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| Formula |
C27H22N2O3
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| Molecular Weight |
422.484
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| Canonical SMILES |
O=C(c1ccccc1)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C27H22N2O3/c30-24(17-6-2-1-3-7-17)19-10-11-22-23(16-19)29-25(28-22)18-12-14-27(15-13-18)21-9-5-4-8-20(21)26(31)32-27/h1-11,16,18H,12-15H2,(H,28,29)/t18-,27-
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| InChIKey |
ZCLQGJGUMGWVKM-TULSRQJMSA-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