General Information of the Compound
| Compound ID |
CP0910991
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| Compound Name |
(S)-6-Cyclopropylmethyl-7-ethyl-2-(4-methoxy-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 |
C23H25F3N4O
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| Molecular Weight |
430.474
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(OC)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1
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| InChI |
InChI=1S/C23H25F3N4O/c1-4-15-12-30-22-19(29(15)11-14-5-6-14)9-13(2)27-21(22)20(28-30)17-8-7-16(31-3)10-18(17)23(24,25)26/h7-10,14-15H,4-6,11-12H2,1-3H3/t15-/m0/s1
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| InChIKey |
MEJYLYXCPDPZQT-HNNXBMFYSA-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