778706 logo
canSAR778706
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCC(=O)O)NC1=O
    InChI
    InChI=1S/C62H103N21O14S2/c1-5-34(3)48-58(96)78-41(23-24-47(87)88)53(91)76-40(22-15-28-72-62(68)69)55(93)83-49(35(4)6-2)59(97)79-42(30-36-16-9-7-10-17-36)56(94)77-39(21-14-27-71-61(66)67)52(90)80-43(51(63)89)33-99-98-29-25-44(84)81-50(37-18-11-8-12-19-37)57(95)74-31-45(85)73-32-46(86)75-38(54(92)82-48)20-13-26-70-60(64)65/h7,9-10,16-17,34-35,37-43,48-50H,5-6,8,11-15,18-33H2,1-4H3,(H2,63,89)(H,73,85)(H,74,95)(H,75,86)(H,76,91)(H,77,94)(H,78,96)(H,79,97)(H,80,90)(H,81,84)(H,82,92)(H,83,93)(H,87,88)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,35-,38+,39+,40-,41+,42-,43+,48-,49+,50+/m0/s1
    MOLECULAR FORMULA
    C62H103N21O14S2
    CROSS REFERENCES
    778706 logo

    canSAR778706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1429.74
    AlogP -4.21
    HBond donors 26
    HBond acceptors 35
    Atoms 202
    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 canSAR778706.