MPS1-IN-3
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MPS1-IN-3
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CAS No:
1609584-72-6
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Formula:
C26H31N7O4S
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Chemical Name:
MPS1-IN-3
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Synonyms:
Mps1-IN-3;1-(4-(6-(2-(Isopropylsulfonyl)phenylamino)-9H-purin-2-ylamino)-3-methoxyphenyl)piperidin-4-ol;4-Piperidinol, 1-[3-methoxy-4-[[6-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-9H-purin-2-yl]amino]phenyl]-
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CAS No:
Drug Information
1-(4-(6-(2-(isopropylsulfonyl)phenylamino)-9H-purin-2-ylamino)-3-ethoxyphenyl)piperidin-4-ol
Computed Properties
Molecular Weight:537.6
XLogP3:4.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:537.21582367
Monoisotopic Mass:537.21582367
Topological Polar Surface Area:154
Heavy Atom Count:38
Complexity:866
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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