General Information of the Compound
| Compound ID |
CP0562636
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| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(2-methoxyethyl)-15-methyl-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 |
C27H32F3N5O2
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| Molecular Weight |
515.58
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| Canonical SMILES |
COCCN1CCN2[C@H](C1)CCOc1cc3nc(C)nc(N[C@H](C)c4cccc(C(F)F)c4F)c3cc21
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| InChI |
InChI=1S/C27H32F3N5O2/c1-16(19-5-4-6-20(25(19)28)26(29)30)31-27-21-13-23-24(14-22(21)32-17(2)33-27)37-11-7-18-15-34(10-12-36-3)8-9-35(18)23/h4-6,13-14,16,18,26H,7-12,15H2,1-3H3,(H,31,32,33)/t16-,18+/m1/s1
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| InChIKey |
VNBUCNKDMDMDFM-AEFFLSMTSA-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