General Information of the Compound
| Compound ID |
CP0521629
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| Compound Name |
US9169240, 16
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| Formula |
C27H28N4O4S
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| Molecular Weight |
504.612
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4O4S/c1-27(2,3)35-26(33)28-19-12-9-17(10-13-19)23-30-31-24(34-23)22(32)25-29-20-14-11-18(15-21(20)36-25)16-7-5-4-6-8-16/h4-8,11,14-15,17,19H,9-10,12-13H2,1-3H3,(H,28,33)/t17-,19-
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| InChIKey |
PPNKCSBVIFDESO-UAPYVXQJSA-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