General Information of the Compound
| Compound ID |
CP0561395
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| Compound Name |
US8901315, 230
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| Structure |
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| Formula |
C21H30N4O2S
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| Molecular Weight |
402.564
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| Canonical SMILES |
CN(C)C(=O)[C@H]1CCC(C1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C21H30N4O2S/c1-13-17-12-18(28-21(17)25(23-13)16-7-5-4-6-8-16)19(26)22-15-10-9-14(11-15)20(27)24(2)3/h12,14-16H,4-11H2,1-3H3,(H,22,26)/t14-,15?/m0/s1
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| InChIKey |
JFNCIPNVTAPVEE-MLCCFXAWSA-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