General Information of the Compound
| Compound ID |
CP0556993
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| Compound Name |
US9169240, 6
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| Formula |
C24H22N4O4S
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| Molecular Weight |
462.531
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| Canonical SMILES |
COC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C24H22N4O4S/c1-31-24(30)25-17-10-7-15(8-11-17)21-27-28-22(32-21)20(29)23-26-18-12-9-16(13-19(18)33-23)14-5-3-2-4-6-14/h2-6,9,12-13,15,17H,7-8,10-11H2,1H3,(H,25,30)/t15-,17-
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| InChIKey |
UXDGKTKPVYLSSS-JCNLHEQBSA-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