canSAR1086928
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O
    InChI
    InChI=1S/C80H146N28O18/c1-12-45(9)62(105-70(118)53(30-31-57(84)109)98-58(110)40-94-65(113)54(39-42(3)4)102-68(116)51(25-15-17-33-82)101-71(119)55-28-21-37-107(55)76(124)56-29-22-38-108(56)75(123)48(83)23-18-34-91-78(85)86)72(120)95-41-59(111)97-49(26-19-35-92-79(87)88)66(114)96-47(11)64(112)99-50(24-14-16-32-81)67(115)100-52(27-20-36-93-80(89)90)69(117)103-60(43(5)6)73(121)104-61(44(7)8)74(122)106-63(77(125)126)46(10)13-2/h42-56,60-63H,12-41,81-83H2,1-11H3,(H2,84,109)(H,94,113)(H,95,120)(H,96,114)(H,97,111)(H,98,110)(H,99,112)(H,100,115)(H,101,119)(H,102,116)(H,103,117)(H,104,121)(H,105,118)(H,106,122)(H,125,126)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-,62-,63-/m0/s1
    MOLECULAR FORMULA
    C80H146N28O18
    CROSS REFERENCES
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    canSAR1086928
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1787.14
    AlogP-6.27
    HBond donors34
    HBond acceptors46
    Atoms272
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086928.