canSAR948538
FEATURES
Loading...
NAMES
    SMILES
    Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)[C@@H](N)CCCCN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2ccc(N)nc2=O)CC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(N)nc1=O
    InChI
    InChI=1S/C69H97N31O21/c1-41-26-98(64(76)86-60(41)113)38-57(110)91(31-50(103)80-14-23-92(58(111)39-99-27-42(2)61(114)87-68(99)120)32-51(104)77-11-20-89(29-48(75)101)54(107)35-95-17-7-45(72)83-65(95)117)22-13-79-49(102)30-90(55(108)36-96-18-8-46(73)84-66(96)118)21-12-78-52(105)33-93(59(112)40-100-28-43(3)62(115)88-69(100)121)24-15-81-53(106)34-94(25-16-82-63(116)44(71)6-4-5-10-70)56(109)37-97-19-9-47(74)85-67(97)119/h7-9,17-19,26-28,44H,4-6,10-16,20-25,29-40,70-71H2,1-3H3,(H2,75,101)(H,77,104)(H,78,105)(H,79,102)(H,80,103)(H,81,106)(H,82,116)(H2,72,83,117)(H2,73,84,118)(H2,74,85,119)(H2,76,86,113)(H,87,114,120)(H,88,115,121)/t44-/m0/s1
    MOLECULAR FORMULA
    C69H97N31O21
    CROSS REFERENCES
    Loading...
    canSAR948538
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1695.75
    AlogP-14.02
    HBond donors22
    HBond acceptors52
    Atoms218
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948538.