General Information of the Compound
| Compound ID |
CP0493285
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| Compound Name |
US9139585, 17A
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| Structure |
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| Formula |
C24H26N6O5S
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| Molecular Weight |
510.576
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCC1CN2S(=O)(=O)c1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C24H26N6O5S/c1-15-20(8-9-21-22(15)13-35-24(21)32)23(31)12-28-10-18-3-2-17(28)11-30(18)36(33,34)19-6-4-16(5-7-19)29-14-25-26-27-29/h4-9,14,17-18,23,31H,2-3,10-13H2,1H3/t17?,18?,23-/m0/s1
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| InChIKey |
TZYXPZATFYBFQE-KXXGJQBSSA-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