canSAR1087612
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
    InChI
    InChI=1S/C87H154N28O29/c1-13-44(11)66(83(142)109-55(37-61(123)124)76(135)107-56(38-62(125)126)77(136)112-63(41(5)6)79(138)108-52(34-40(3)4)73(132)104-51(84(143)144)24-16-18-30-89)114-72(131)49(26-21-33-99-87(95)96)101-74(133)53(35-59(119)120)106-75(134)54(36-60(121)122)105-70(129)50(27-28-58(117)118)103-82(141)67(45(12)14-2)115-81(140)65(43(9)10)113-80(139)64(42(7)8)111-71(130)48(25-20-32-98-86(93)94)100-69(128)47(23-15-17-29-88)102-78(137)57(39-116)110-68(127)46(90)22-19-31-97-85(91)92/h40-57,63-67,116H,13-39,88-90H2,1-12H3,(H,100,128)(H,101,133)(H,102,137)(H,103,141)(H,104,132)(H,105,129)(H,106,134)(H,107,135)(H,108,138)(H,109,142)(H,110,127)(H,111,130)(H,112,136)(H,113,139)(H,114,131)(H,115,140)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-,66-,67-/m0/s1
    MOLECULAR FORMULA
    C87H154N28O29
    CROSS REFERENCES
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    canSAR1087612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2055.14
    AlogP-8.93
    HBond donors41
    HBond acceptors57
    Atoms298
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087612.