canSAR1503583
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C76H120N20O20/c1-11-41(8)61(94-72(113)55-20-16-32-96(55)75(116)60(40(6)7)93-65(106)47(77)35-44-17-13-12-14-18-44)73(114)85-42(9)64(105)95-62(43(10)97)74(115)92-54(36-45-21-23-46(98)24-22-45)66(107)84-37-58(101)86-50(27-30-59(102)103)68(109)91-53(34-39(4)5)71(112)89-51(26-29-57(79)100)69(110)88-49(19-15-31-83-76(81)82)67(108)90-52(33-38(2)3)70(111)87-48(63(80)104)25-28-56(78)99/h12-14,17-18,21-24,38-43,47-55,60-62,97-98H,11,15-16,19-20,25-37,77H2,1-10H3,(H2,78,99)(H2,79,100)(H2,80,104)(H,84,107)(H,85,114)(H,86,101)(H,87,111)(H,88,110)(H,89,112)(H,90,108)(H,91,109)(H,92,115)(H,93,106)(H,94,113)(H,95,105)(H,102,103)(H4,81,82,83)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1
    MOLECULAR FORMULA
    C76H120N20O20
    CROSS REFERENCES
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    canSAR1503583
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1632.90
    AlogP-4.93
    HBond donors27
    HBond acceptors40
    Atoms236
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503583.