General Information of the Compound
| Compound ID |
CP0576630
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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-pentaen-5-yl]-pyridin-3-ylmethanone
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| Structure |
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| Formula |
C30H29F3N6O2
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| Molecular Weight |
562.596
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)C(=O)c1cccnc1)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C30H29F3N6O2/c1-17(21-6-3-7-22(27(21)31)28(32)33)35-29-23-13-25-26(14-24(23)36-18(2)37-29)41-12-8-20-16-38(10-11-39(20)25)30(40)19-5-4-9-34-15-19/h3-7,9,13-15,17,20,28H,8,10-12,16H2,1-2H3,(H,35,36,37)/t17-,20+/m1/s1
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| InChIKey |
JNUGLHSNTDARIR-XLIONFOSSA-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