canSAR420265
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O
    InChI
    InChI=1S/C77H108N22O20S2/c1-41(2)27-49(68(110)94-54(30-45-20-22-47(101)23-21-45)75(117)99-26-11-18-57(99)73(115)96-55(38-120)71(113)93-53(32-59(79)102)67(109)87-37-63(106)98-25-12-19-58(98)76(118)119)89-61(104)35-84-60(103)34-85-66(108)50(28-43-13-6-4-7-14-43)92-70(112)52(31-46-33-82-40-88-46)90-62(105)36-86-74(116)64(42(3)100)97-72(114)56(39-121)95-69(111)51(29-44-15-8-5-9-16-44)91-65(107)48(78)17-10-24-83-77(80)81/h4-9,13-16,20-23,33,40-42,48-58,64,100-101,120-121H,10-12,17-19,24-32,34-39,78H2,1-3H3,(H2,79,102)(H,82,88)(H,84,103)(H,85,108)(H,86,116)(H,87,109)(H,89,104)(H,90,105)(H,91,107)(H,92,112)(H,93,113)(H,94,110)(H,95,111)(H,96,115)(H,97,114)(H,118,119)(H4,80,81,83)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,64+/m1/s1
    MOLECULAR FORMULA
    C77H108N22O20S2
    CROSS REFERENCES
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    canSAR420265
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1724.76
    AlogP-6.97
    HBond donors25
    HBond acceptors42
    Atoms229
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR420265.