General Information of the Compound
| Compound ID |
CP0031151
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| Compound Name |
SR-301
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| Structure |
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| Formula |
C34H43N9O4S
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| Molecular Weight |
673.844
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| Canonical SMILES |
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNc2ncnc3n(nnc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H43N9O4S/c1-48(46,47)42-20-8-11-27(22-42)38-34(45)29(19-16-24-9-4-2-5-10-24)39-33(44)26-17-14-25(15-18-26)21-35-31-30-32(37-23-36-31)43(41-40-30)28-12-6-3-7-13-28/h3,6-7,12-15,17-18,23-24,27,29H,2,4-5,8-11,16,19-22H2,1H3,(H,38,45)(H,39,44)(H,35,36,37)/t27?,29-/m0/s1
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| InChIKey |
JINDDPNTLQVRRX-ACEFPKFPSA-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: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT00861, Mitogen-activated protein kinase 14