General Information of the Compound
| Compound ID |
CP0350577
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| Compound Name |
US9303015, 8
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| Structure |
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| Formula |
C27H26ClN5O2S
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| Molecular Weight |
520.058
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| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncs1)c1cncn1C
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| InChI |
InChI=1S/C27H26ClN5O2S/c1-4-33(5-2)26-25(35-19-9-7-6-8-10-19)24(28)20-13-18(11-12-21(20)31-26)27(34,23-15-30-17-36-23)22-14-29-16-32(22)3/h6-17,34H,4-5H2,1-3H3
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| InChIKey |
VAUSKCYWXYGVQL-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