canSAR1746130
FEATURES
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NAMES
    SMILES
    CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C
    InChI
    InChI=1S/C78H112N22O18/c1-5-6-19-52(92-75(116)61(41-102)98-72(113)57(34-46-24-26-49(104)27-25-46)95-74(115)60(40-101)89-44(4)103)68(109)93-54(28-29-63(80)105)70(111)97-59(36-48-38-84-42-88-48)73(114)94-56(33-45-16-8-7-9-17-45)71(112)91-53(22-14-31-85-78(82)83)69(110)96-58(35-47-37-86-51-20-11-10-18-50(47)51)67(108)87-39-64(106)90-55(21-12-13-30-79)77(118)100-32-15-23-62(100)76(117)99-65(43(2)3)66(81)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,86,101-102,104H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,105)(H2,81,107)(H,84,88)(H,87,108)(H,89,103)(H,90,106)(H,91,112)(H,92,116)(H,93,109)(H,94,114)(H,95,115)(H,96,110)(H,97,111)(H,98,113)(H,99,117)(H4,82,83,85)/t52?,53?,54?,55?,56?,57-,58?,59?,60-,61-,62?,65?/m0/s1
    MOLECULAR FORMULA
    C78H112N22O18
    CROSS REFERENCES
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    canSAR1746130
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1644.85
    AlogP-4.91
    HBond donors27
    HBond acceptors40
    Atoms230
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746130.