General Information of the Compound
| Compound ID |
CP0540642
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| Compound Name |
US9481682, 193
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| Structure |
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| Formula |
C27H22ClF4N7O2
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| Molecular Weight |
587.965
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cc(F)c(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C27H22ClF4N7O2/c28-18-10-17(26(41)36-20-9-14(5-6-34-20)27(30,31)32)19(29)11-16(18)22-23-24(33)35-7-8-38(23)25(37-22)13-1-2-15-3-4-21(40)39(15)12-13/h5-11,13,15H,1-4,12H2,(H2,33,35)(H,34,36,41)/t13-,15+/m1/s1
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| InChIKey |
IRCPBVSNDASNRE-HIFRSBDPSA-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