General Information of the Compound
| Compound ID |
CP0500457
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| Compound Name |
US10336717, Compound 155
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| Structure |
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| Formula |
C26H29F3N4O2
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| Molecular Weight |
486.538
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H29F3N4O2/c1-15(2)33-22(34)25(32-23(33)30)21-11-16(18-10-19(14-31-13-18)26(27,28)29)4-5-17(21)12-24(25)8-6-20(35-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,30,32)
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| InChIKey |
KVZQZJUKUARQSZ-UHFFFAOYSA-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