General Information of the Compound
| Compound ID |
CP0545934
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| Compound Name |
US9266876, 117
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| Structure |
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| Formula |
C27H25N5OS
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| Molecular Weight |
467.598
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1ccc2ccccc2c1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H25N5OS/c1-18-16-31(27-25(28-17-34-27)26-29-22-8-4-5-9-23(22)30-26)12-13-32(18)24(33)15-19-10-11-20-6-2-3-7-21(20)14-19/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,29,30)/t18-/m1/s1
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| InChIKey |
CSAJUENDGPSCJQ-GOSISDBHSA-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