General Information of the Compound
| Compound ID |
CP0079013
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| Compound Name |
N-(2-morpholin-4-ylethyl)-8-[[3-(2-morpholin-4-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C32H36N6O4S2
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| Molecular Weight |
632.812
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| Canonical SMILES |
O=C(NCCN1CCOCC1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCCN3CCOCC3)cccc2c1
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| InChI |
InChI=1S/C32H36N6O4S2/c39-31(33-7-9-37-11-15-41-16-12-37)25-19-23-3-1-5-27(29(23)35-21-25)43-44-28-6-2-4-24-20-26(22-36-30(24)28)32(40)34-8-10-38-13-17-42-18-14-38/h1-6,19-22H,7-18H2,(H,33,39)(H,34,40)
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| InChIKey |
VQRDUTCTXDMOFP-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