General Information of the Compound
| Compound ID |
CP0495634
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| Compound Name |
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]propan-1-amine
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| Structure |
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| Formula |
C26H30F3N5
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| Molecular Weight |
469.555
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| Canonical SMILES |
CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N5/c1-5-11-32(14-19-8-9-19)15-21-23(26(27,28)29)31-25-33(21)20-7-6-10-30-24(20)34(25)22-17(3)12-16(2)13-18(22)4/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3
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| InChIKey |
AZRZXCRQDGIRRE-UHFFFAOYSA-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