General Information of the Compound
| Compound ID |
CP0522327
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| Compound Name |
8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-(2-phenethyl-pyrrolidin-1-ylmethyl)-8H-1,3a,7,8-tetraaza-cyclopenta[a]indene
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| Structure |
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| Formula |
C30H32ClN5
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| Molecular Weight |
498.074
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| Canonical SMILES |
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCCC1CCc1ccccc1
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| InChI |
InChI=1S/C30H32ClN5/c1-20-17-21(2)28(25(31)18-20)36-29-26(12-7-15-32-29)35-27(22(3)33-30(35)36)19-34-16-8-11-24(34)14-13-23-9-5-4-6-10-23/h4-7,9-10,12,15,17-18,24H,8,11,13-14,16,19H2,1-3H3
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| InChIKey |
WMVFBRXLCXUZAO-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