General Information of the Compound
| Compound ID |
CP0957622
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| Compound Name |
kisspeptin 10
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| Structure |
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| Formula |
C63H83N17O15
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| Molecular Weight |
1318.461
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C63H83N17O15/c1-33(2)23-45(58(91)74-43(13-8-22-70-63(68)69)57(90)75-44(54(67)87)25-36-16-20-39(83)21-17-36)73-53(86)31-72-56(89)46(26-34-9-4-3-5-10-34)77-62(95)50(32-81)80-61(94)49(29-52(66)85)79-59(92)47(27-37-30-71-42-12-7-6-11-40(37)42)78-60(93)48(28-51(65)84)76-55(88)41(64)24-35-14-18-38(82)19-15-35/h3-7,9-12,14-21,30,33,41,43-50,71,81-83H,8,13,22-29,31-32,64H2,1-2H3,(H2,65,84)(H2,66,85)(H2,67,87)(H,72,89)(H,73,86)(H,74,91)(H,75,90)(H,76,88)(H,77,95)(H,78,93)(H,79,92)(H,80,94)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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| InChIKey |
HVPGTDOCSYBNFC-INXYWQKQSA-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