General Information of the Compound
| Compound ID |
CP0574914
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| Compound Name |
(7S)-17-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-15-methyl-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaene-5-carboxamide
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)C(N)=O)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C25H27F3N6O2/c1-13(16-4-3-5-17(22(16)26)23(27)28)30-24-18-10-20-21(11-19(18)31-14(2)32-24)36-9-6-15-12-33(25(29)35)7-8-34(15)20/h3-5,10-11,13,15,23H,6-9,12H2,1-2H3,(H2,29,35)(H,30,31,32)/t13-,15+/m1/s1
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| InChIKey |
DEQBGXKOHLPMRQ-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