General Information of the Compound
| Compound ID |
CP0542805
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| Compound Name |
1-[(7R)-16-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-14-methyl-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene-5-carbonyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C28H27F3N6O2
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| Molecular Weight |
536.558
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OC[C@H]4CN(CCN4c3cc12)C(=O)C1(CC1)C#N)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C28H27F3N6O2/c1-15(18-4-3-5-19(24(18)29)25(30)31)33-26-20-10-22-23(11-21(20)34-16(2)35-26)39-13-17-12-36(8-9-37(17)22)27(38)28(14-32)6-7-28/h3-5,10-11,15,17,25H,6-9,12-13H2,1-2H3,(H,33,34,35)/t15-,17-/m1/s1
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| InChIKey |
KKFFOOWORPUAJB-NVXWUHKLSA-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