UNPD104262

AlkaPlorer ID: AK434642

Synonym: None

IUPAC Name: None

Structure

SMILES: C/C=C1/CN2CCC34C5=CC(=O)C(C6=CC7=C(C=C6OC)N(C)C6C8CC9C(C(=O)OC)C76CCN8CC96OC6C)=CC5=NC23CCC1C4C(=O)OC

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InChI: InChI=1S/C42H48N4O7/c1-7-22-19-46-13-11-40-26-17-32(47)24(15-29(26)43-42(40,46)9-8-23(22)34(40)37(48)51-5)25-14-27-30(18-33(25)50-4)44(3)36-31-16-28-35(38(49)52-6)39(27,36)10-12-45(31)20-41(28)21(2)53-41/h7,14-15,17-18,21,23,28,31,34-36H,8-13,16,19-20H2,1-6H3/b22-7-

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InChIKey: KMDDHJUXLXBOFN-HOEBFWFUSA-N

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Source

Properties Information

Molecule Weight: 720.8670000000001

TPSA: 113.51

MolLogP: 3.7005000000000026

Number of H-Donors: 0

Number of H-Acceptors: 11

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information