General Information of the Compound
| Compound ID |
CP0854437
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| Compound Name |
CSNLSTCVLGKLSQELNKLHBYPRTNTGSGTP-amide
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| Synonyms |
CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide
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| Structure |
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| Formula |
C146H244N44O47S2
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| Molecular Weight |
3431.953
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](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/C146H244N44O47S2/c1-18-19-27-82(123(215)179-96(51-77-33-35-79(199)36-34-77)144(236)190-45-26-32-103(190)139(231)169-84(30-24-43-158-146(155)156)126(218)187-114(74(15)196)142(234)178-95(55-107(153)203)134(226)186-113(73(14)195)140(232)161-58-109(205)164-97(60-191)120(212)160-59-110(206)184-116(76(17)198)145(237)189-44-25-31-102(189)117(154)209)165-131(223)92(52-78-56-157-66-162-78)174-127(219)88(47-68(4)5)171-122(214)83(29-21-23-42-148)166-132(224)93(53-105(151)201)175-128(220)89(48-69(6)7)172-125(217)86(38-40-111(207)208)167-124(216)85(37-39-104(150)200)168-135(227)99(62-193)181-129(221)90(49-70(8)9)170-121(213)81(28-20-22-41-147)163-108(204)57-159-119(211)87(46-67(2)3)177-141(233)112(72(12)13)185-138(230)101(65-239)183-143(235)115(75(16)197)188-137(229)100(63-194)182-130(222)91(50-71(10)11)173-133(225)94(54-106(152)202)176-136(228)98(61-192)180-118(210)80(149)64-238/h33-36,56,66-76,80-103,112-116,191-199,238-239H,18-32,37-55,57-65,147-149H2,1-17H3,(H2,150,200)(H2,151,201)(H2,152,202)(H2,153,203)(H2,154,209)(H,157,162)(H,159,211)(H,160,212)(H,161,232)(H,163,204)(H,164,205)(H,165,223)(H,166,224)(H,167,216)(H,168,227)(H,169,231)(H,170,213)(H,171,214)(H,172,217)(H,173,225)(H,174,219)(H,175,220)(H,176,228)(H,177,233)(H,178,234)(H,179,215)(H,180,210)(H,181,221)(H,182,222)(H,183,235)(H,184,206)(H,185,230)(H,186,226)(H,187,218)(H,188,229)(H,207,208)(H4,155,156,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1
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| InChIKey |
YNPHTODKUNFPBE-PQRPONEFSA-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
Clinical Information about the Compound