General Information of the Compound
| Compound ID |
CP0024074
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| Compound Name |
(2R)-2-[[6-[(5-methylthiophen-2-yl)methylamino]-9-propylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C18H26N6OS
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| Molecular Weight |
374.514
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| Canonical SMILES |
CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C18H26N6OS/c1-4-8-24-11-20-15-16(19-9-14-7-6-12(3)26-14)22-18(23-17(15)24)21-13(5-2)10-25/h6-7,11,13,25H,4-5,8-10H2,1-3H3,(H2,19,21,22,23)/t13-/m1/s1
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| InChIKey |
DPTXJOUVBMUSGY-CYBMUJFWSA-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: PT01175, Voltage-dependent L-type calcium channel subunit alpha-1D
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Protein ID: PT05584, Voltage-dependent P/Q-type calcium channel subunit alpha-1A