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canSAR1123017
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
    InChI
    InChI=1S/C62H95N25O12/c1-32(2)25-43(53(94)76-42(15-8-9-21-67-33(3)4)58(99)87-24-12-18-47(87)57(98)72-34(5)49(63)90)77-51(92)40(17-11-23-69-62-82-60(65)84-86-62)74-50(91)39(16-10-22-68-61-81-59(64)83-85-61)75-56(97)46(30-88)80-54(95)44(26-35-28-70-38-14-7-6-13-37(35)38)78-55(96)45(27-36-29-66-31-71-36)79-52(93)41-19-20-48(89)73-41/h6-7,13-14,28-29,31-34,39-47,67,70,88H,8-12,15-27,30H2,1-5H3,(H2,63,90)(H,66,71)(H,72,98)(H,73,89)(H,74,91)(H,75,97)(H,76,94)(H,77,92)(H,78,96)(H,79,93)(H,80,95)(H4,64,68,81,83,85)(H4,65,69,82,84,86)/t34-,39+,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1
    MOLECULAR FORMULA
    C62H95N25O12
    CROSS REFERENCES
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    canSAR1123017

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1381.76
    AlogP -3.28
    HBond donors 23
    HBond acceptors 37
    Atoms 194
    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 canSAR1123017.