canSAR538341
FEATURES
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NAMES
    SMILES
    CC.CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C68H106N22O12.C2H6/c1-41(2)35-51(88-61(98)52(37-43-17-7-5-8-18-43)84-56(93)40-81-55(92)39-82-59(96)50(36-44-26-28-46(91)29-27-44)80-38-45-19-9-6-10-20-45)60(97)87-48(22-13-31-77-66(71)72)64(101)89(4)53(24-15-33-79-68(75)76)62(99)83-42(3)58(95)86-49(23-14-32-78-67(73)74)65(102)90-34-16-25-54(90)63(100)85-47(57(70)94)21-11-12-30-69;1-2/h5-10,17-20,26-29,41-42,47-54,80,91H,11-16,21-25,30-40,69H2,1-4H3,(H2,70,94)(H,81,92)(H,82,96)(H,83,99)(H,84,93)(H,85,100)(H,86,95)(H,87,97)(H,88,98)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79);1-2H3/t42-,47+,48+,49+,50+,51+,52+,53+,54-;/m1./s1
    MOLECULAR FORMULA
    C70H112N22O12
    CROSS REFERENCES
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    canSAR538341
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1452.88
    AlogP-2.21
    HBond donors26
    HBond acceptors34
    Atoms216
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538341.