canSAR821774
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3Cc4ccccc4C[C@H]3C(=O)N3C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N4Cc5ccccc5C[C@H]4C(=O)N4C[C@@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)N5Cc6ccccc6C[C@H]5C(=O)N5C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N6Cc7ccccc7C[C@H]6C(=O)N6C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C7CCCCC76)C6CCCCC65)C5CCCCC54)C4CCCCC43)C3CCCCC32)C2CCCCC21
    InChI
    InChI=1S/C186H260N32O23/c1-114(2)93-149(206-171(226)141(195)71-33-41-85-187)178(233)210-105-126-62-18-12-56-120(126)99-161(210)184(239)214-109-136(130-66-22-28-80-153(130)214)166(221)201-147(77-39-47-91-193)176(231)208-103-124-60-16-10-54-118(124)97-159(208)182(237)217-112-139(133-69-25-31-83-156(133)217)169(224)204-151(95-116-51-7-4-8-52-116)180(235)212-107-128-64-20-14-58-122(128)101-163(212)186(241)216-111-138(132-68-24-30-82-155(132)216)168(223)203-148(78-40-48-92-194)177(232)209-104-125-61-17-11-55-119(125)98-160(209)183(238)218-113-140(134-70-26-32-84-157(134)218)170(225)205-150(94-115-49-5-3-6-50-115)179(234)211-106-127-63-19-13-57-121(127)100-162(211)185(240)215-110-137(131-67-23-29-81-154(131)215)167(222)202-146(76-38-46-90-192)175(230)207-102-123-59-15-9-53-117(123)96-158(207)181(236)213-108-135(129-65-21-27-79-152(129)213)165(220)198-143(73-35-43-87-189)173(228)200-145(75-37-45-89-191)174(229)199-144(74-36-44-88-190)172(227)197-142(164(196)219)72-34-42-86-188/h3-20,49-64,114,129-163H,21-48,65-113,187-195H2,1-2H3,(H2,196,219)(H,197,227)(H,198,220)(H,199,229)(H,200,228)(H,201,221)(H,202,222)(H,203,223)(H,204,224)(H,205,225)(H,206,226)/t129?,130?,131?,132?,133?,134?,135-,136-,137-,138-,139-,140-,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152?,153?,154?,155?,156?,157?,158+,159+,160+,161+,162+,163+/m1/s1
    MOLECULAR FORMULA
    C186H260N32O23
    CROSS REFERENCES
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    canSAR821774
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3310.02
    AlogP10.03
    HBond donors30
    HBond acceptors55
    Atoms501
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821774.