General Information of the Compound
| Compound ID |
CP0919394
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| Compound Name |
US8921559, 31
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| Structure |
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| Formula |
C29H37N5O2S
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| Molecular Weight |
519.715
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| Canonical SMILES |
CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1
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| InChI |
InChI=1S/C29H37N5O2S/c1-37-23-6-4-5-22(17-23)33-29(36)34-15-13-20(14-16-34)27(28(30)35)32-21-11-9-19(10-12-21)25-18-31-26-8-3-2-7-24(25)26/h2-8,17-21,27,31-32H,9-16H2,1H3,(H2,30,35)(H,33,36)
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| InChIKey |
KKHMMOUUEMDAOY-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