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CAS 579492-81-2 BAX INHIBITING PEPTIDE V5 (BIP-V5) molecular structure lightbox
CAS RN: 579492-81-2

BAX INHIBITING PEPTIDE V5 (BIP-V5)

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  • Product code: starshine_CAS579492-81-2
  • Purity/Analytical Methods: >99.0%
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579492-81-2 / (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Standard CAS: 579492-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
579492-81-2
Multi CAS
Yes
Molecular Formula
C27H50N6O6S
Molecular Weight
586.800000
Exact Mass
586.351255
InChI
InChI=1S/C27H50N6O6S/c1-16(2)15-20(24(35)31-19(27(38)39)9-6-7-12-28)32-23(34)18(11-14-40-5)30-25(36)21-10-8-13-33(21)26(37)22(29)17(3)4/h16-22H,6-15,28-29H2,1-5H3,(H,30,36)(H,31,35)(H,32,34)(H,38,39)/t18-,19-,20-,21-,22-/m0/s1
InChIKey
NHMUTADCTDDWPV-YFNVTMOMSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.81
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
6
Molar refractivity
156.34
TPSA
196.95

LogP / Solubility

WLOGP
0.43
MLOGP
0.42
XLogP3
-2.7
Consensus LogP
-0.62
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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