General Information of the Compound
| Compound ID |
CP0636021
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| Compound Name |
Mimylin
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| Structure |
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| Formula |
C146H242N42O53
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| Molecular Weight |
3433.783
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
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| InChI |
InChI=1S/C146H242N42O53/c1-64(2)49-88(171-117(214)71(14)159-115(212)70(13)163-140(237)111(76(19)194)185-136(233)97(61-191)180-132(229)92(53-68(9)10)175-125(222)85(35-41-107(205)206)167-135(232)96(60-190)178-118(215)72(15)160-120(217)80(147)32-38-104(199)200)121(218)156-57-102(197)164-81(27-22-44-154-145(149)150)122(219)173-91(52-67(7)8)131(228)179-95(59-189)134(231)162-73(16)116(213)165-83(33-39-105(201)202)123(220)174-90(51-66(5)6)130(227)176-93(55-79-56-153-63-158-79)133(230)166-84(34-40-106(203)204)124(221)172-89(50-65(3)4)129(226)161-74(17)119(216)182-112(77(20)195)142(239)177-94(54-69(11)12)143(240)188-48-26-31-101(188)138(235)168-82(28-23-45-155-146(151)152)127(224)184-113(78(21)196)141(238)170-87(37-43-109(209)210)128(225)183-110(75(18)193)139(236)157-58-103(198)186-46-25-30-100(186)137(234)169-86(36-42-108(207)208)126(223)181-98(62-192)144(241)187-47-24-29-99(187)114(148)211/h56,63-78,80-101,110-113,189-196H,22-55,57-62,147H2,1-21H3,(H2,148,211)(H,153,158)(H,156,218)(H,157,236)(H,159,212)(H,160,217)(H,161,226)(H,162,231)(H,163,237)(H,164,197)(H,165,213)(H,166,230)(H,167,232)(H,168,235)(H,169,234)(H,170,238)(H,171,214)(H,172,221)(H,173,219)(H,174,220)(H,175,222)(H,176,227)(H,177,239)(H,178,215)(H,179,228)(H,180,229)(H,181,223)(H,182,216)(H,183,225)(H,184,224)(H,185,233)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H4,149,150,154)(H4,151,152,155)/t70-,71-,72-,73-,74-,75+,76+,77+,78+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-/m0/s1
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| InChIKey |
TYQCXWQNDIKSIC-BPLPDJTGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound