[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
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[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
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CAS No:
157922-77-5
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Formula:
C25H23ClN2O5
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Chemical Name:
[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
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Synonyms:
Duocarmycin TM;157922-77-5;seco-CBI-TMI;CHEMBL66051;SCHEMBL12596987;NSC698927;NSC-698927;[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone;HY-107769;CS-0029985
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CAS No:
[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone Basic Attributes
466.9 g/mol
466.1295495 g/mol
698927
Computed Properties
Molecular Weight:466.9
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:466.1295495
Monoisotopic Mass:466.1295495
Topological Polar Surface Area:84
Heavy Atom Count:33
Complexity:712
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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