canSAR824494
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](c3ccccc3)C[C@@H](C(N)=O)N2C1=O
    InChI
    InChI=1S/C63H84N12O14/c1-34(2)51(70-57(83)44(32-50(78)79)68-61(87)53(36(5)76)72-59(85)47-24-16-26-74(47)63(89)52(35(3)4)71-55(81)42(64)27-37-17-9-6-10-18-37)60(86)66-33-49(77)73-25-15-23-46(73)58(84)67-43(28-38-19-11-7-12-20-38)56(82)69-45-31-41-29-40(39-21-13-8-14-22-39)30-48(54(65)80)75(41)62(45)88/h6-14,17-22,34-36,40-48,51-53,76H,15-16,23-33,64H2,1-5H3,(H2,65,80)(H,66,86)(H,67,84)(H,68,87)(H,69,82)(H,70,83)(H,71,81)(H,72,85)(H,78,79)/t36-,40-,41-,42+,43+,44+,45+,46-,47+,48+,51+,52+,53+/m1/s1
    MOLECULAR FORMULA
    C63H84N12O14
    CROSS REFERENCES
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    canSAR824494
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1232.62
    AlogP-0.99
    HBond donors13
    HBond acceptors26
    Atoms173
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824494.