General Information of the Compound
| Compound ID |
CP0387678
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| Compound Name |
US9481682, 139
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| Structure |
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| Formula |
C30H30F3N7O3
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| Molecular Weight |
593.61
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| Canonical SMILES |
CC(C)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F3N7O3/c1-16(2)43-22-13-17(29(42)37-23-14-19(9-10-35-23)30(31,32)33)4-7-21(22)25-26-27(34)36-11-12-39(26)28(38-25)18-3-5-20-6-8-24(41)40(20)15-18/h4,7,9-14,16,18,20H,3,5-6,8,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t18-,20+/m1/s1
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| InChIKey |
VOLWNUFRDKTDSO-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