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canSAR1130325
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C59H97N17O22/c1-6-28(2)46(75-51(90)35(11-7-9-21-60)67-54(93)39(24-44(63)84)70-49(88)29(3)65-31(5)81)58(97)74-42(27-79)56(95)71-38(23-32-13-15-33(82)16-14-32)53(92)69-37(17-19-43(62)83)50(89)72-41(26-78)57(96)73-40(25-77)55(94)68-36(12-8-10-22-61)52(91)76-47(30(4)80)59(98)66-34(48(64)87)18-20-45(85)86/h13-16,28-30,34-42,46-47,77-80,82H,6-12,17-27,60-61H2,1-5H3,(H2,62,83)(H2,63,84)(H2,64,87)(H,65,81)(H,66,98)(H,67,93)(H,68,94)(H,69,92)(H,70,88)(H,71,95)(H,72,89)(H,73,96)(H,74,97)(H,75,90)(H,76,91)(H,85,86)/t28-,29-,30+,34+,35-,36+,37-,38-,39-,40-,41-,42-,46-,47-/m0/s1
    MOLECULAR FORMULA
    C59H97N17O22
    CROSS REFERENCES
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    canSAR1130325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1395.70
    AlogP -10.06
    HBond donors 28
    HBond acceptors 39
    Atoms 195
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130325.