General Information of the Compound
| Compound ID |
CP0530651
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| Compound Name |
US9481682, 144
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| Structure |
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| Formula |
C30H27ClF3N7O3
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| Molecular Weight |
626.039
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| Canonical SMILES |
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C30H27ClF3N7O3/c31-22-13-37-27(35)26-25(39-28(41(22)26)16-1-3-18-4-8-24(42)40(18)14-16)20-7-2-15(11-21(20)44-19-5-6-19)29(43)38-23-12-17(9-10-36-23)30(32,33)34/h2,7,9-13,16,18-19H,1,3-6,8,14H2,(H2,35,37)(H,36,38,43)/t16-,18+/m1/s1
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| InChIKey |
OQCRYEJFNLOKBR-AEFFLSMTSA-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