General Information of the Compound
| Compound ID |
CP0698981
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| Compound Name |
(S)-N2-(1-(1H-Indol-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H21N7
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| Molecular Weight |
359.437
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| Canonical SMILES |
C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C20H21N7/c1-12(14-4-5-16-15(10-14)6-8-21-16)23-20-22-9-7-18(25-20)24-19-11-17(26-27-19)13-2-3-13/h4-13,21H,2-3H2,1H3,(H3,22,23,24,25,26,27)/t12-/m0/s1
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| InChIKey |
SGUZXWKWTMWMCR-LBPRGKRZSA-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