canSAR1087760
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C
    InChI
    InChI=1S/C80H147N29O18/c1-10-46(8)63(73(122)96-42-60(112)98-49(25-17-35-92-78(86)87)67(116)97-47(9)64(113)100-50(23-12-15-33-82)68(117)101-52(26-18-36-93-79(88)89)70(119)105-61(44(4)5)74(123)106-62(45(6)7)77(126)127)107-71(120)53(30-31-58(85)110)99-59(111)41-95-66(115)55(40-43(2)3)104-69(118)51(24-13-16-34-83)102-72(121)56-28-20-38-108(56)76(125)57-29-21-39-109(57)75(124)54(27-19-37-94-80(90)91)103-65(114)48(84)22-11-14-32-81/h43-57,61-63H,10-42,81-84H2,1-9H3,(H2,85,110)(H,95,115)(H,96,122)(H,97,116)(H,98,112)(H,99,111)(H,100,113)(H,101,117)(H,102,121)(H,103,114)(H,104,118)(H,105,119)(H,106,123)(H,107,120)(H,126,127)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1
    MOLECULAR FORMULA
    C80H147N29O18
    CROSS REFERENCES
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    canSAR1087760
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1802.15
    AlogP-7.19
    HBond donors36
    HBond acceptors47
    Atoms274
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087760.