General Information of the Compound
| Compound ID |
CP0145219
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| Compound Name |
CHEMBL2086748
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| Formula |
C27H25N5O3S
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| Molecular Weight |
499.596
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C27H25N5O3S/c1-31-13-15-32(16-14-31)36(34,35)19-11-12-21-20(17-19)25(27(33)30-21)24(18-7-3-2-4-8-18)26-28-22-9-5-6-10-23(22)29-26/h2-12,17H,13-16H2,1H3,(H,28,29)(H,30,33)
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| InChIKey |
QBVSDKQSKUMRFT-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