General Information of the Compound
| Compound ID |
CP0957917
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| Compound Name |
US9169240, 85
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| Structure |
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| Formula |
C23H17N7O5S
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| Molecular Weight |
503.5
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| Canonical SMILES |
O=C(c1nnc(N(Cc2n[nH]c(=O)o2)[C@H]2CCNC2=O)o1)c1nc2ccc(-c3ccccc3)cc2s1
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| InChI |
InChI=1S/C23H17N7O5S/c31-18(21-25-14-7-6-13(10-16(14)36-21)12-4-2-1-3-5-12)20-27-28-22(35-20)30(15-8-9-24-19(15)32)11-17-26-29-23(33)34-17/h1-7,10,15H,8-9,11H2,(H,24,32)(H,29,33)/t15-/m0/s1
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| InChIKey |
ZDNYYNJGUDXPPS-HNNXBMFYSA-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