General Information of the Compound
| Compound ID |
CP0579395
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| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-15-methyl-5-[(3S)-oxolan-3-yl]-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaen-17-amine
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| Structure |
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| Formula |
C28H32F3N5O2
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| Molecular Weight |
527.591
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)[C@H]1CCOC1)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C28H32F3N5O2/c1-16(20-4-3-5-21(26(20)29)27(30)31)32-28-22-12-24-25(13-23(22)33-17(2)34-28)38-11-7-18-14-35(8-9-36(18)24)19-6-10-37-15-19/h3-5,12-13,16,18-19,27H,6-11,14-15H2,1-2H3,(H,32,33,34)/t16-,18+,19+/m1/s1
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| InChIKey |
ZNYIZCRXODFSAX-NEWSRXKRSA-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