General Information of the Compound
| Compound ID |
CP0049105
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| Compound Name |
(SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
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| Synonyms |
11035-08-8
12769-48-1
2053AH
33507-63-0
675VGV5J1D
AC1L1VX3
AC1Q5IQE
ADNPLDHMAVUMIW-CUZNLEPHSA-N
AKOS024456424
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine
ArgProLysProGlnGlnPhePheGlyLeuMet
BDBM50001450
C63H98N18O13S
CCRIS 7229
CHEMBL235363
EINECS 251-545-8
GTPL2098
LS-147256
MolPort-023-276-010
NCGC00167123-01
Neurokinin P
P substance
SCHEMBL1116347
Substance P
Substance P analogue
Substanz-P
UNII-675VGV5J1D
tachykinin substance P (SP)
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| Structure |
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| Formula |
C63H98N18O13S
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| Molecular Weight |
1347.657
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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| InChIKey |
ADNPLDHMAVUMIW-CUZNLEPHSA-N
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| CAS |
11035-08-8
12769-48-1
33507-63-0
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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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor
Cell-based Assay
Clinical Information about the Compound