General Information of the Compound
| Compound ID |
CP0413157
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| Compound Name |
US9481682, 157
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| Structure |
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| Formula |
C30H30F3N7O4
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| Molecular Weight |
609.609
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| Canonical SMILES |
COCCN(C(=O)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(O)c1)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F3N7O4/c1-44-13-12-38(23-15-19(8-9-35-23)30(31,32)33)29(43)17-3-6-21(22(41)14-17)25-26-27(34)36-10-11-39(26)28(37-25)18-2-4-20-5-7-24(42)40(20)16-18/h3,6,8-11,14-15,18,20,41H,2,4-5,7,12-13,16H2,1H3,(H2,34,36)/t18-,20+/m1/s1
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| InChIKey |
RDVRLBVYZRHJCS-QUCCMNQESA-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