General Information of the Compound
| Compound ID |
CP0910331
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| Compound Name |
(S)-6-Cyclopropylmethyl-7-ethyl-2-(4-isopropyl-2-trifluoromethyl-phenyl)-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C25H29F3N4
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| Molecular Weight |
442.529
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(C(C)C)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1
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| InChI |
InChI=1S/C25H29F3N4/c1-5-18-13-32-24-21(31(18)12-16-6-7-16)10-15(4)29-23(24)22(30-32)19-9-8-17(14(2)3)11-20(19)25(26,27)28/h8-11,14,16,18H,5-7,12-13H2,1-4H3/t18-/m0/s1
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| InChIKey |
ZWSDMSYAMAZBEZ-SFHVURJKSA-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