canSAR1087369
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O
    InChI
    InChI=1S/C69H102N20O19/c1-7-34(2)54(86-61(102)46(12-9-27-77-69(74)75)81-58(99)35(3)79-38(6)92)64(105)85-50(31-41-18-24-44(95)25-19-41)67(108)89-28-10-13-51(89)63(104)88-56(37(5)91)66(107)84-49(32-52(70)96)59(100)78-33-53(97)80-48(30-40-16-22-43(94)23-17-40)62(103)87-55(36(4)90)65(106)82-45(11-8-26-76-68(72)73)60(101)83-47(57(71)98)29-39-14-20-42(93)21-15-39/h14-25,34-37,45-51,54-56,90-91,93-95H,7-13,26-33H2,1-6H3,(H2,70,96)(H2,71,98)(H,78,100)(H,79,92)(H,80,97)(H,81,99)(H,82,106)(H,83,101)(H,84,107)(H,85,105)(H,86,102)(H,87,103)(H,88,104)(H4,72,73,76)(H4,74,75,77)/t34-,35-,36+,37+,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
    MOLECULAR FORMULA
    C69H102N20O19
    CROSS REFERENCES
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    canSAR1087369
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1514.76
    AlogP-6.48
    HBond donors28
    HBond acceptors39
    Atoms210
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087369.