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canSAR1143595
FEATURES
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NAMES
    SMILES
    CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C104H143N23O17/c1-66(128)112-58-89(129)118-83(52-67-28-4-2-5-29-67)103(143)125-63-74-37-13-9-33-70(74)55-86(125)98(138)113-59-90(130)116-81(44-20-26-50-109)101(141)124-62-73-36-12-8-32-69(73)54-85(124)97(137)115-61-92(132)119-84(53-68-30-6-3-7-31-68)104(144)126-64-75-38-14-10-34-71(75)56-87(126)99(139)114-60-91(131)117-82(45-21-27-51-110)102(142)127-65-76-39-15-11-35-72(76)57-88(127)100(140)123-80(43-19-25-49-108)96(136)122-79(42-18-24-48-107)95(135)121-78(41-17-23-47-106)94(134)120-77(93(111)133)40-16-22-46-105/h2-15,28-39,77-88H,16-27,40-65,105-110H2,1H3,(H2,111,133)(H,112,128)(H,113,138)(H,114,139)(H,115,137)(H,116,130)(H,117,131)(H,118,129)(H,119,132)(H,120,134)(H,121,135)(H,122,136)(H,123,140)/t77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m0/s1
    MOLECULAR FORMULA
    C104H143N23O17
    CROSS REFERENCES
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    canSAR1143595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1986.10
    AlogP -1.09
    HBond donors 26
    HBond acceptors 40
    Atoms 287
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143595.