General Information of the Compound
| Compound ID |
CP0461581
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| Compound Name |
US8901315, 235
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| Structure |
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| Formula |
C21H31N5O2S
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| Molecular Weight |
417.579
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| Canonical SMILES |
CN(C)C(=O)N1CCC(CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C21H31N5O2S/c1-14-17-13-18(29-20(17)26(23-14)16-7-5-4-6-8-16)19(27)22-15-9-11-25(12-10-15)21(28)24(2)3/h13,15-16H,4-12H2,1-3H3,(H,22,27)
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| InChIKey |
PQUAASUWZCDBAM-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