General Information of the Compound
| Compound ID |
CP0522328
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| Compound Name |
3-(3-benzyl-pyrrolidin-1-ylmethyl)-8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]indene
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| Structure |
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| Formula |
C29H30ClN5
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| Molecular Weight |
484.047
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| Canonical SMILES |
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(Cc2ccccc2)C1
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| InChI |
InChI=1S/C29H30ClN5/c1-19-14-20(2)27(24(30)15-19)35-28-25(10-7-12-31-28)34-26(21(3)32-29(34)35)18-33-13-11-23(17-33)16-22-8-5-4-6-9-22/h4-10,12,14-15,23H,11,13,16-18H2,1-3H3
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| InChIKey |
UHFPWYDXZYELGS-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