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canSAR502251
FEATURES
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NAMES
    SMILES
    C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2
    InChI
    InChI=1S/C70H106N28O21S6/c1-31-54(105)85-38(11-6-14-80-69(75)76)58(109)96-50-29-125-124-26-47-66(117)90-42(18-51(73)101)61(112)98-49(28-123-121-25-46(53(74)104)94-68(50)119)67(118)93-45(23-100)64(115)92-44(22-99)63(114)86-37(10-4-5-13-71)56(107)88-40(16-32-20-82-36-9-3-2-8-34(32)36)60(111)97-48(27-122-120-24-35(72)55(106)95-47)65(116)87-39(12-7-15-81-70(77)78)57(108)91-43(19-52(102)103)62(113)89-41(59(110)84-31)17-33-21-79-30-83-33/h2-3,8-9,20-21,30-31,35,37-50,82,99-100H,4-7,10-19,22-29,71-72H2,1H3,(H2,73,101)(H2,74,104)(H,79,83)(H,84,110)(H,85,105)(H,86,114)(H,87,116)(H,88,107)(H,89,113)(H,90,117)(H,91,108)(H,92,115)(H,93,118)(H,94,119)(H,95,106)(H,96,109)(H,97,111)(H,98,112)(H,102,103)(H4,75,76,80)(H4,77,78,81)/t31-,35-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
    MOLECULAR FORMULA
    C70H106N28O21S6
    CROSS REFERENCES
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    canSAR502251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1866.64
    AlogP -11.04
    HBond donors 36
    HBond acceptors 49
    Atoms 231
    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 canSAR502251.