General Information of the Compound
| Compound ID |
CP0722967
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| Compound Name |
5-(1H-indol-4-ylamino)-3-((1R,2S)-2-aminocyclohexylamino)-1,2,4-triazine-6-carboxamide
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| Structure |
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| Formula |
C18H22N8O
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| Molecular Weight |
366.429
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| Canonical SMILES |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/m0/s1
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| InChIKey |
PSQMUQFRXXYSAM-SMDDNHRTSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01441, Tyrosine-protein kinase SYK