General Information of the Compound
| Compound ID |
CP0557631
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| Compound Name |
US8901315, 270
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| Formula |
C22H30N4O3S
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| Molecular Weight |
430.574
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOC1=O
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| InChI |
InChI=1S/C22H30N4O3S/c1-14-18-13-19(30-21(18)26(24-14)17-5-3-2-4-6-17)20(27)23-15-7-9-16(10-8-15)25-11-12-29-22(25)28/h13,15-17H,2-12H2,1H3,(H,23,27)/t15-,16-
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| InChIKey |
NDMQTJPISPBYBM-WKILWMFISA-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