General Information of the Compound
| Compound ID |
CP0541076
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| Compound Name |
(2-cyclopropyl-ethyl)-[2-methyl-8-(2,4,6-trimethyl-phenyl)-8H-1,3a,7,8-tetraaza-cyclopenta[a]inden-3-ylmethyl]-propyl-amine
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| Structure |
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| Formula |
C27H35N5
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| Molecular Weight |
429.612
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| Canonical SMILES |
CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12
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| InChI |
InChI=1S/C27H35N5/c1-6-13-30(14-11-22-9-10-22)17-24-21(5)29-27-31(24)23-8-7-12-28-26(23)32(27)25-19(3)15-18(2)16-20(25)4/h7-8,12,15-16,22H,6,9-11,13-14,17H2,1-5H3
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| InChIKey |
AXPHBYMSNVRSMB-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