General Information of the Compound
| Compound ID |
CP0430765
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| Compound Name |
CHEMBL2012604
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| Formula |
C21H26N4O4S
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| Molecular Weight |
430.53
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)N1CCOCC1
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| InChI |
InChI=1S/C21H26N4O4S/c26-18(27)13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)19(28)22-20-23-24-21(30-20)25-9-11-29-12-10-25/h5-8,14-15H,1-4,9-13H2,(H,26,27)(H,22,23,28)/t14-,15-
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| InChIKey |
ZNZAQUFTDGTURA-SHTZXODSSA-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