General Information of the Compound
| Compound ID |
CP0322305
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| Compound Name |
(+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-cyclopropylpyrimidin-2-amine
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| Structure |
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| Formula |
C22H27N5
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| Molecular Weight |
361.493
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
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| InChI |
InChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
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| InChIKey |
BWRZYJMZRBKIAZ-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