General Information of the Compound
| Compound ID |
CP0340622
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| Compound Name |
(S)-(4-(5-amino-6-(2,6-dichlorobenzylamino)pyrazin-2-yl)phenyl)(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C27H30Cl2N6O
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| Molecular Weight |
525.484
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| Canonical SMILES |
Nc1ncc(nc1NCc1c(Cl)cccc1Cl)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
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| InChI |
InChI=1S/C27H30Cl2N6O/c28-22-6-3-7-23(29)21(22)15-32-26-25(30)31-16-24(33-26)18-8-10-19(11-9-18)27(36)35-14-4-5-20(35)17-34-12-1-2-13-34/h3,6-11,16,20H,1-2,4-5,12-15,17H2,(H2,30,31)(H,32,33)/t20-/m0/s1
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| InChIKey |
PVBCEWZVPUKFNT-FQEVSTJZSA-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