General Information of the Compound
| Compound ID |
CP0445055
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| Compound Name |
1-cyclopropyl-N-(cyclopropylmethyl)-N-[[4-methyl-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]methanamine
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| Structure |
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| Formula |
C27H33N5
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| Molecular Weight |
427.596
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| Canonical SMILES |
Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC1CC1)CC1CC1
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| InChI |
InChI=1S/C27H33N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-6,11-13,21-22H,7-10,14-16H2,1-4H3
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| InChIKey |
PBRDZEJFSDJXDB-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