canSAR544229
FEATURES
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NAMES
    SMILES
    Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)NC3CC3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1
    InChI
    InChI=1S/C59H88N18O22S3/c1-22-37(74-50(77-48(22)62)28(13-34(61)81)68-14-27(60)49(63)88)54(92)76-39(45(29-15-65-21-69-29)97-58-47(43(86)41(84)32(16-78)96-58)98-57-44(87)46(99-59(64)94)42(85)33(17-79)95-57)55(93)70-24(3)40(83)23(2)51(89)75-38(25(4)80)53(91)67-11-9-36-72-31(19-100-36)56-73-30(18-101-56)52(90)66-10-6-12-102(5)20-35(82)71-26-7-8-26/h15,18-19,21,23-28,32-33,38-47,57-58,68,78-80,83-87H,6-14,16-17,20,60H2,1-5H3,(H14-,61,62,63,64,65,66,67,69,70,71,74,75,76,77,81,82,88,89,90,91,92,93,94)/p+1
    MOLECULAR FORMULA
    C59H89N18O22S3+
    CROSS REFERENCES
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    canSAR544229
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1497.56
    AlogP-8.05
    HBond donors26
    HBond acceptors40
    Atoms191
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR544229.