General Information of the Compound
| Compound ID |
CP0471297
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| Compound Name |
US9266876, 100
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| Structure |
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| Formula |
C29H26N8OS
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| Molecular Weight |
534.649
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccc(cc2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C29H26N8OS/c1-19-15-35(12-13-37(19)25(38)16-36-17-31-23-8-5-11-30-28(23)36)29-26(32-18-39-29)27-33-22-10-9-21(14-24(22)34-27)20-6-3-2-4-7-20/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,33,34)/t19-/m1/s1
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| InChIKey |
NSNKTVMNOZLWAV-LJQANCHMSA-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