General Information of the Compound
| Compound ID |
CP0482763
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| Compound Name |
Ala-Ser-Leu-Arg-His-Thi-Leu-Asn-Leu-Val-Thr-Arg-Gln-Arg-Tyr
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| Structure |
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| Formula |
C84H137N29O21S
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| Molecular Weight |
1921.269
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C84H137N29O21S/c1-40(2)29-56(107-79(132)62(37-114)111-68(121)44(9)99-46(11)116)73(126)101-52(16-13-26-96-83(90)91)71(124)109-60(34-49-36-94-39-98-49)76(129)108-59(33-48-24-28-135-38-48)75(128)105-57(30-41(3)4)74(127)110-61(35-64(86)119)77(130)106-58(31-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(17-14-27-97-84(92)93)69(122)102-54(22-23-63(85)118)72(125)100-51(15-12-25-95-82(88)89)70(123)104-55(67(87)120)32-47-18-20-50(117)21-19-47/h18-21,24,28,36,38-45,51-62,65-66,114-115,117H,12-17,22-23,25-27,29-35,37H2,1-11H3,(H2,85,118)(H2,86,119)(H2,87,120)(H,94,98)(H,99,116)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,65-,66-/m0/s1
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| InChIKey |
IFVFNTSUQVFIPC-ORNBHVQKSA-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