67510 logo
canSAR67510
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
    InChI
    InChI=1S/C51H76N18O13S2/c1-23(2)14-34(46(78)67-35(15-28-18-58-32-11-8-7-10-30(28)32)47(79)64-33(40(53)72)12-9-13-57-51(54)55)66-50(82)38-21-84-83-20-37(68-44(76)27(6)61-41(73)24(3)62-45(77)31(52)17-39(70)71)49(81)63-25(4)42(74)60-26(5)43(75)65-36(48(80)69-38)16-29-19-56-22-59-29/h7-8,10-11,18-19,22-27,31,33-38,58H,9,12-17,20-21,52H2,1-6H3,(H2,53,72)(H,56,59)(H,60,74)(H,61,73)(H,62,77)(H,63,81)(H,64,79)(H,65,75)(H,66,82)(H,67,78)(H,68,76)(H,69,80)(H,70,71)(H4,54,55,57)/t24-,25-,26-,27-,31-,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C51H76N18O13S2
    CROSS REFERENCES
    67510 logo

    canSAR67510

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1212.53
    AlogP -4.40
    HBond donors 21
    HBond acceptors 31
    Atoms 160
    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 canSAR67510.