General Information of the Compound
| Compound ID |
CP0570765
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| Compound Name |
US9169240, 53
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| Structure |
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| Formula |
C20H15N5O3S
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| Molecular Weight |
405.439
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| Canonical SMILES |
O=C(c1nnc(N[C@H]2CCNC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C20H15N5O3S/c26-16(18-24-25-20(28-18)23-14-8-9-21-17(14)27)19-22-13-7-6-12(10-15(13)29-19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,21,27)(H,23,25)/t14-/m0/s1
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| InChIKey |
NMJRSDJQJIMXHO-AWEZNQCLSA-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