General Information of the Compound
| Compound ID |
CP0500947
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| Compound Name |
US9493474, 19A
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| Structure |
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| Formula |
C25H28N6O5S
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| Molecular Weight |
524.603
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN2S(=O)(=O)c2ccc(cc2)-n2cnnn2)C1
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| InChI |
InChI=1S/C25H28N6O5S/c1-17-20(7-8-21-22(17)14-36-24(21)33)23(32)13-29-12-10-25(15-29)9-2-11-31(25)37(34,35)19-5-3-18(4-6-19)30-16-26-27-28-30/h3-8,16,23,32H,2,9-15H2,1H3/t23-,25?/m0/s1
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| InChIKey |
NJSKLGCRYFHZOT-LFQPHHBNSA-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